Sugi Predict

Sugi Predict / Compounds / SCHEMBL4969142

SCHEMBL4969142

SCHEMBL4969142

COc1ccnc(Cl)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMO O15229 4/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4C Q9H3R0 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
SCHEMBL16995116 0.86 CA9 (0.41) CA12CA1CA2CA7CA9
SCHEMBL31507349 0.86 CA9 (0.41) CA12CA1CA2CA7CA9
SCHEMBL16198442 0.84 ATR (0.43) CA12CA1CA2CA7CA9
SCHEMBL16040548 0.83 MEN1 (0.42) ALDH1A1HSD17B10LMNASMN1; SMN2HTT
SCHEMBL19323337 0.82 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7042463 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL10762448 0.80 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL9082035 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1168812 0.79 GAA (0.44) CA12CA1CA2CA7CA9
SCHEMBL21905825 0.79 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532486-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-04-09 — — EP disclosed
CN-119546588-A Pyridine checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2025-02-28 — — CN disclosed
WO-2023230477-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-11-30 — — WO disclosed
US-10150751-B2 Pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-12-11 — — US disclosed
US-20170342052-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — US disclosed
US-20170342052-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — US disclosed
US-20170342052-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — US disclosed
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 — — EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 — — US disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 — — US disclosed
WO-2016095204-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2016100154-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2016100154-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 — — WO disclosed
CN-103209962-B As the 6-amino-nicotinamide of the replacement of KCNQ2/3 conditioning agent GRUNENTHAL GMBH (DE) 2016-03-02 — — CN disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 — — EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 — — 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 (4 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-10150751-B2 Pyrrolidine orexin receptor antagonists HCRTR2, HCRTR1, OXTR CA12 3795/4885CA1 1495/4885CA2 2382/4885
US-20170342052-A1 PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CA12 3795/4885CA1 1495/4885CA2 2382/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS CA12 836/4885CA1 1813/4885CA2 1140/4885
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB CA12 4267/4885CA1 4427/4885CA2 3455/4885

“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.