SCHEMBL1014752

SCHEMBL1014752

Cc1cc(N)c(OC(C)C)cc1C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.43
INSR P06213 15/20 0.43
KCNH2 Q12809 5/20 0.43
NPM1 P06748 10/20 0.42
CYP3A4 P08684 2/20 0.40
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRA P16234 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
PLK1 P53350 1/20 0.39
EPHB4 P54760 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL12705383 0.93 ALK (0.46) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL12705456 0.88 ALK (0.42) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL12705389 0.87 ALK (0.39) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL26158833 0.85 ALK (0.35) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL12705369 0.85 ALK (0.45) ALKINSRKCNH2TRPC6
SCHEMBL17580565 0.85 TLR9 (0.40) ALKINSRKCNH2NPM1HTR1D
SCHEMBL12705526 0.85 ALK (0.47) ALKINSRKCNH2TRPC6
SCHEMBL12705454 0.84 HTR2A (0.44) ALKINSRKCNH2NPM1
SCHEMBL12635462 0.84 QDPR (0.44) ALKKCNH2HTR1DHTR1B
SCHEMBL1014832 0.84 ALK (0.48) ALKINSRKCNH2TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME MEDSHINE DISCOVERY INC. (CN) 2023-05-25 US disclosed
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 EP disclosed
WO-2022002241-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF 成都地奥九泓制药厂 2022-01-06 WO disclosed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
EP-2091918-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-08-26 EP disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 WO disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885KCNH2 2126/4885
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME PSMA6, PSMC1, PSMA1 ALK 3418/4885INSR 557/4885KCNH2 4517/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 ALK 58/4885INSR 283/4885KCNH2 4636/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR ALK 1554/4885INSR 1109/4885KCNH2 549/4885

“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.