SCHEMBL179530

SCHEMBL179530

Cc1ccnc(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.52
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
NOS2 P35228 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PLAU P00749 1/20 0.39
FDPS P14324 1/20 0.38
HRH1 P35367 1/20 0.38
CXCR4 P61073 1/20 0.38
CHRNA7 P36544 1/20 0.37
CYP2A6 P11509 2/20 0.37
METAP2 P50579 1/20 0.37
SLC6A2 P23975 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29453940 1.00 UHRF1 (0.52) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL28749349 0.82 NOS2 (0.50) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL18519477 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL26916427 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL15491238 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL1706587 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL4428487 0.82 NOS2 (0.50) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL18149357 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL643383 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2
SCHEMBL17108554 0.82 UHRF1 (0.48) UHRF1CCR1CCR5CCR8NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476600-A Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases 拜欧赛里克斯公司 2019-03-15 CN claimed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
WO-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-5214027-A For use with synthetic peppermint essential oil in foods and cosmetics SHIONO KORYO KAISHA, LTD. (JP) 1993-05-25 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 (9 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD UHRF1 2792/4885CCR1 3030/4885CCR5 3966/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 UHRF1 2721/4885CCR1 1455/4885CCR5 2544/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 UHRF1 774/4885CCR1 542/4885CCR5 560/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 UHRF1 1022/4885CCR1 2716/4885CCR5 631/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A UHRF1 415/4885CCR1 4194/4885CCR5 4680/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 UHRF1 302/4885CCR1 4122/4885CCR5 3587/4885
US-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 UHRF1 2557/4885CCR1 4859/4885CCR5 4244/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 UHRF1 532/4885CCR1 4847/4885CCR5 4798/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 UHRF1 1440/4885CCR1 4283/4885CCR5 3859/4885

“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.