SCHEMBL6506789

SCHEMBL6506789

Cc1cccc(-c2nccc(=O)[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
CYP2A6 P11509 1/20 0.44
METAP2 P50579 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 7/20 0.37
MAPK14 Q16539 2/20 0.37
GRM5 P41594 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
BTK Q06187 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 1/20 0.35
TGFBR2 P37173 1/20 0.35
CBFB Q13951 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
SCHEMBL30114941 1.00 CCR1 (0.48) CCR1CCR8CYP2A6METAP2GAA
SCHEMBL1194066 0.75 BTK (0.58) CCR1CCR8METAP2GAAMAPT
SCHEMBL309114 0.74 CCR1 (0.54) CCR1CCR8CYP2A6METAP2KMT2A
SCHEMBL29627866 0.72 PDE3B (0.33) KMT2APDE3BPDE3A
SCHEMBL26289617 0.72 PDE3B (0.33) KMT2APDE3BPDE3A
SCHEMBL14919456 0.72 RAB9A (0.53) GAAMAPTKMT2AKDM4EHPGD
SCHEMBL15131529 0.71 CCR1 (0.50) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL18036062 0.71 GAA (0.44) CCR1CCR8GAAMAPTKMT2A
SCHEMBL2128866 0.71 CYP2A6 (0.42) CCR1CCR8CYP2A6METAP2MAPT
SCHEMBL2128871 0.71 CCR1 (0.42) CCR1CCR8CYP2A6METAP2GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
EP-4126824-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE Theravance Biopharma R&D IP, LLC (US) 2023-02-08 EP disclosed
CN-115443269-A Substituted pyrimidines and methods of use 施万生物制药研发IP有限责任公司 2022-12-06 CN disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 WO disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 WO disclosed
WO-2013026900-A1 PYRIDINE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2005082884-A2 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE ASTRAZENECA AB (SE) 2005-09-09 WO disclosed
WO-2005082884-A2 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE ASTRAZENECA AB (SE) 2005-09-09 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CCR1 2076/4885CCR8 1018/4885CYP2A6 3027/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CCR1 2076/4885CCR8 1018/4885CYP2A6 3027/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CCR1 2076/4885CCR8 1018/4885CYP2A6 3027/4885

“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.