SCHEMBL953920

SCHEMBL953920

Cc1nn(C)cc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NAMPT P43490 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALPL P05186 1/20 0.30

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
SCHEMBL23912150 0.74
SCHEMBL11895145 0.73
SCHEMBL29911940 0.73 MEN1 (0.37) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL29911770 0.71 SMN1; SMN2 (0.49) COMTALDH1A1GAARAB9ANPC1
SCHEMBL27191916 0.71 PDK2 (0.31)
SCHEMBL17841476 0.71 ADORA2A (0.32)
SCHEMBL20464515 0.71 GAA (0.31) GAA
SCHEMBL27241794 0.71 ENPP2 (0.33) KMT2AMEN1
SCHEMBL690803 0.70
SCHEMBL15423387 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors ONCODESIGN S.A. (FR) 2026-05-19 US disclosed
WO-2026101724-A1 AMINO PYRIMIDINE AND AMINO TRIAZINE ANALOGS FOR TREATING CANCER NEREID THERAPEUTICS INCORPORATED (US) 2026-05-15 WO disclosed
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2026-05-07 US disclosed
EP-4724431-A1 BENZOFURAN DERIVATIVES AS SIK INHIBITORS AND USE THEREOF Beone Medicines I GmbH (CH) 2026-04-15 EP disclosed
US-20260085053-A1 BENZOFURAN DERIVATIVES AS SIK INHIBITORS AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2026-03-26 US disclosed
US-20250353853-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-11-20 US disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4069697-B1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-07-16 EP disclosed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
EP-4532476-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-04-09 EP disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-01 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
WO-2010041054-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-04-15 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 (12 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-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 COMT 4342/4885ALDH1A1 4135/4885GAA 4854/4885
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 COMT 3724/4885ALDH1A1 1376/4885GAA 3728/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 COMT 3789/4885ALDH1A1 184/4885GAA 175/4885
US-20260085053-A1 BENZOFURAN DERIVATIVES AS SIK INHIBITORS AND THE USE THEREOF SIK1, CHUK, SIK2 COMT 4355/4885ALDH1A1 2795/4885GAA 2965/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE COMT 1064/4885ALDH1A1 3259/4885GAA 180/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E COMT 750/4885ALDH1A1 3559/4885GAA 631/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A COMT 4599/4885ALDH1A1 3523/4885GAA 3260/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 COMT 1732/4885ALDH1A1 3665/4885GAA 3876/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 COMT 4321/4885ALDH1A1 4251/4885GAA 4697/4885
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK1, RIPK2, RIPK4 COMT 4850/4885ALDH1A1 4830/4885GAA 3974/4885
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors RIPK1, RIPK2, RIPK3 COMT 4827/4885ALDH1A1 4757/4885GAA 4202/4885
US-20250353853-A1 FLAVIVIRUS INHIBITORS SPINT2, EIF2AK2, DDX5 COMT 2881/4885ALDH1A1 3259/4885GAA 706/4885

“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.