SCHEMBL264803

SCHEMBL264803

Cc1cc(Br)cc(C)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
MAOA P21397 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
NQO2 P16083 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GPR35 Q9HC97 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
MCL1 Q07820 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
NMT1 P30419 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13550070 0.86 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL981236 0.86 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL29745432 0.82 CYP3A4 (0.37) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL27608122 0.82 CYP3A4 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL13550066 0.82 CYP3A4 (0.37) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL4079177 0.82 CD44 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL524860 0.78 NQO2 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8354359 0.77 NMT1 (0.39) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL22504879 0.77 CYP3A4 (0.38) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL13550102 0.77 RAPGEF4 (0.37) CYP3A4CHRM1ALOX15MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 EP disclosed
EP-4592308-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-30 EP disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 CN disclosed
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 EP disclosed
CN-119731195-A Cyclic compounds having selective inhibition of KRAS over HRAS and NRAS 中外制药株式会社 2025-03-28 CN disclosed
US-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 US disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 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 (8 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP3A4 1702/4885CHRM1 4824/4885ALOX15 3679/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS CYP3A4 3509/4885CHRM1 4870/4885ALOX15 4690/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS CYP3A4 3509/4885CHRM1 4870/4885ALOX15 4690/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP3A4 1702/4885CHRM1 4824/4885ALOX15 3679/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP3A4 1182/4885CHRM1 37/4885ALOX15 2451/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 CYP3A4 2803/4885CHRM1 4765/4885ALOX15 2131/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS CYP3A4 3509/4885CHRM1 4870/4885ALOX15 4690/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 CYP3A4 2182/4885CHRM1 95/4885ALOX15 172/4885

“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.