SCHEMBL109583

SCHEMBL109583

CCOC(=O)c1cccc(C)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.82
MAPT P10636 2/20 0.64
P2RX7 Q99572 1/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TSHR P16473 1/20 0.50
GRM5 P41594 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47

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
SCHEMBL6248220 0.93 CYP1A2 (0.72) CYP1A2MAPTP2RX7ALDH1A1KDM4E
SCHEMBL1478915 0.90 CYP1A2 (1.00) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL20267745 0.88 CYP1A2 (0.64) CYP1A2MAPTP2RX7ALDH1A1KDM4E
SCHEMBL27965936 0.84 CYP1A2 (0.59) CYP1A2MAPTP2RX7ALDH1A1KDM4E
SCHEMBL185177 0.84 CYP1A2 (0.86) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL21639419 0.84 CYP1A2 (0.86) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL1032542 0.84 CYP1A2 (0.79) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL2832191 0.84 CYP1A2 (0.86) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL10297730 0.83 CYP1A2 (0.72) CYP1A2MAPTALDH1A1KDM4EGAA
SCHEMBL13311109 0.82 CYP1A2 (0.77) CYP1A2MAPTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323601-B 2- (3-Pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl) -acetamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2026-05-12 CN disclosed
US-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2026-03-17 US disclosed
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Agomab Spain, S.L.U. (ES) 2025-10-30 US disclosed
US-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 Agomab Spain, S.L.U. (ES) 2025-05-13 US disclosed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 CN disclosed
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2023-11-23 US disclosed
EP-4222149-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 AgomAb Spain, S.L.U. (ES) 2023-08-09 EP disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO disclosed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
CN-1106013-A Therapeutic or preventive agents for diseases associated with peroxyli peroxylipid MITSUI TOATSU CHEMICALS (JP) 1995-08-02 CN 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 (6 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK CYP1A2 4086/4885MAPT 1496/4885P2RX7 3173/4885
US-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR1, TGFBR2, ACVR1 CYP1A2 1991/4885MAPT 3884/4885P2RX7 3640/4885
US-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR2, TGFBR1, ACVR1 CYP1A2 3030/4885MAPT 3233/4885P2RX7 2717/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 CYP1A2 4036/4885MAPT 1376/4885P2RX7 2330/4885
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 ACVR1, ACVRL1, TGFBR2 CYP1A2 1995/4885MAPT 2172/4885P2RX7 1474/4885
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 TGFBR2, TGFBR1, ACVR1 CYP1A2 3030/4885MAPT 3233/4885P2RX7 2717/4885

“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.