SCHEMBL803474

SCHEMBL803474

CC(C)(C)C(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MPO P05164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2A6 P11509 1/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
LTA4H P09960 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12188736 0.84 NAPRT (0.50) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL10031827 0.82 PGR (0.47) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL5649378 0.77 LMNA (0.44) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL4667987 0.77 LMNA (0.44) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL5197379 0.77 KDM4E (0.52) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL5649382 0.77 LMNA (0.44) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL28593689 0.77 NAPRT (0.43) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL17773170 0.77 MKNK1 (0.47) CYP1A2CYP3A4
SCHEMBL26907129 0.76 CES1 (0.60) NAPRTALDH1A1MEN1KMT2ALMNA
SCHEMBL25006960 0.76 HCAR2 (0.57) NAPRTALDH1A1LMNAGAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US disclosed
US-11130749-B2 2021-09-28 US disclosed
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
US-11020334-B2 Compounds, compositions and use thereof ILLUSTRIS PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-10927088-B2 Thymoquinone derivatives for treatment of cancer UNITED ARAB EMIRATES UNIVERSITY (AE) 2021-02-23 US disclosed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 US disclosed
US-4098908-A PHENOXYPHENYL PYRIDYL KETONES AND DERIVATIVES AND THEIR USE AS HYPOLEPIDEMIC AGENTS SANDOZ, INC. (US) 1978-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 NAPRT 2539/4885ALDH1A1 587/4885MEN1 3292/4885
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A NAPRT 617/4885ALDH1A1 2061/4885MEN1 4821/4885
US-11020334-B2 Compounds, compositions and use thereof RARB, RARA, RARG NAPRT 45/4885ALDH1A1 46/4885MEN1 3516/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NAPRT 1634/4885ALDH1A1 2776/4885MEN1 4055/4885
US-10927088-B2 Thymoquinone derivatives for treatment of cancer TYMS, TYMP, NQO1 NAPRT 360/4885ALDH1A1 324/4885MEN1 1210/4885
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence SLC25A21, RPS28, ZCCHC8 NAPRT 2728/4885ALDH1A1 476/4885MEN1 3434/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA NAPRT 3355/4885ALDH1A1 4501/4885MEN1 1685/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 NAPRT 4124/4885ALDH1A1 4171/4885MEN1 1552/4885
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A NAPRT 617/4885ALDH1A1 2061/4885MEN1 4821/4885
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT NAPRT 531/4885ALDH1A1 797/4885MEN1 2594/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 NAPRT 3767/4885ALDH1A1 1079/4885MEN1 3032/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NAPRT 1634/4885ALDH1A1 2776/4885MEN1 4055/4885
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 NAPRT 4272/4885ALDH1A1 1800/4885MEN1 2893/4885
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES POLRMT, NOP2, NSUN3 NAPRT 1219/4885ALDH1A1 1468/4885MEN1 4042/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 NAPRT 3184/4885ALDH1A1 290/4885MEN1 2922/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.