SCHEMBL250230

SCHEMBL250230

O=C1c2ccccc2C(=O)N1C1C=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 3/20 0.42
OPRM1 P35372 2/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MC4R P32245 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL30449036 1.00 ALDH1A1 (0.42) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL1571637 1.00 ALDH1A1 (0.42) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL13735685 0.95 ALDH1A1 (0.44) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL13735691 0.95 ALDH1A1 (0.44) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL7744577 0.91 ALDH1A1 (0.44) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL12196085 0.89 ALDH1A1 (0.42) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL28446534 0.83 CYP1A2 (0.32) ALDH1A1CYP1A2OPRM1DDB1CRBN
SCHEMBL12195995 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2OPRM1HPGDAPOBEC3G
SCHEMBL17080079 0.78 TTR (0.41) ALDH1A1OPRM1CHRM2HPGDMAPT
SCHEMBL8891392 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2OPRM1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 WO disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
US-20110245210-A1 THALIDOMIDE ANALOGS The Government of the United States of America, as represented by the Secretary of 2011-10-06 US disclosed
US-20110245210-A1 THALIDOMIDE ANALOGS The Government of the United States of America, as represented by the Secretary of 2011-10-06 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-7973057-B2 Thalidomide analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-07-05 US disclosed
US-7973057-B2 Thalidomide analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-07-05 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885CYP1A2 3102/4885OPRM1 4353/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ALDH1A1 3541/4885CYP1A2 2102/4885OPRM1 1132/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF ALDH1A1 336/4885CYP1A2 3511/4885OPRM1 2727/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885CYP1A2 654/4885OPRM1 2650/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK ALDH1A1 4774/4885CYP1A2 4302/4885OPRM1 4805/4885

“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.