SCHEMBL5873920

SCHEMBL5873920

NC(=O)c1cccc(NC=C2C(=O)Nc3ncc(Br)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
RAF1 P04049 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP3K11 Q16584 1/20 0.39
PARP1 P09874 7/20 0.38
PARP10 Q53GL7 5/20 0.38
PARP15 Q460N3 3/20 0.38
TGM2 P21980 2/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCNB1 P14635 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL5873917 1.00 NTRK1 (0.45) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873881 0.86 MAP3K11 (0.46) NTRK1CDK2RAB9AALDH1A1CYP1A2
SCHEMBL5873887 0.86 MAP3K11 (0.46) NTRK1CDK2RAB9AALDH1A1CYP1A2
SCHEMBL5873695 0.84 CTRC (0.43) NTRK1RAF1RAB9AALDH1A1CYP1A2
SCHEMBL5873913 0.84 CTRC (0.43) NTRK1RAF1RAB9AALDH1A1CYP1A2
SCHEMBL5873939 0.82 NTRK1 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873936 0.82 NTRK1 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873968 0.82 RAB9A (0.42) RAB9AALDH1A1NPSR1MAP3K11
SCHEMBL5873803 0.82 CHEK2 (0.45) NTRK1CDK2RAB9AALDH1A1CYP1A2
SCHEMBL5873957 0.82 MAP3K11 (0.41) NTRK1CDK2RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US claimed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US claimed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 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 (2 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-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 NTRK1 1323/4885RAF1 6/4885CCNA2 284/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX NTRK1 1095/4885RAF1 22/4885CCNA2 350/4885

“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.