SCHEMBL1008698

SCHEMBL1008698

Cc1ccc2c(=O)[nH]ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
PARP1 P09874 3/20 0.56
HSD17B10 Q99714 2/20 0.56
PRKCI P41743 1/20 0.56
PDE4B Q07343 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
CHEK1 O14757 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KA3 P51812 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
DAO P14920 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29655018 0.85 ALDH1A1 (0.56) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL13488080 0.85 ALDH1A1 (0.56) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL30777062 0.85 FGFR1 (0.47) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL27172619 0.85 FGFR1 (0.47) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL10508782 0.82 ALDH1A1 (0.46) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL10511436 0.82 ALDH1A1 (0.46) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL10508774 0.82 ALDH1A1 (0.46) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL25184048 0.78 ALDH1A1 (0.56) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL4060395 0.78 PARP1 (0.61) ALDH1A1PARP1HSD17B10PRKCIPDE4B
SCHEMBL396016 0.78 METAP2 (0.56) ALDH1A1PARP1HSD17B10PRKCIPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023111990-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
WO-2022253326-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF 药捷安康(南京)科技股份有限公司 2022-12-08 WO disclosed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed
US-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
EP-1051403-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-15 EP disclosed
WO-1999038850-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-08-05 WO 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 (5 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ALDH1A1 1603/4885PARP1 403/4885HSD17B10 499/4885
US-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4545/4885PARP1 2481/4885HSD17B10 2627/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 ALDH1A1 2020/4885PARP1 816/4885HSD17B10 3784/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885PARP1 3270/4885HSD17B10 826/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885PARP1 617/4885HSD17B10 2789/4885

“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.