SCHEMBL5873773

SCHEMBL5873773

O=C1Nc2ncc(Br)cc2C1=CNc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
RAF1 P04049 4/20 0.40
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
FLT3 P36888 2/20 0.35
APP P05067 3/20 0.34
MAPT P10636 2/20 0.34
JAK3 P52333 2/20 0.32
KDR P35968 3/20 0.32
PIM1 P11309 2/20 0.32
AURKA O14965 2/20 0.32
JAK2 O60674 2/20 0.32
PRKD3 O94806 2/20 0.32
MAP4K4 O95819 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT1 P17948 2/20 0.32
CLK2 P49760 2/20 0.32
CDK5 Q00535 2/20 0.32
MAP4K2 Q12851 2/20 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
SCHEMBL5873771 1.00 NTRK1 (0.46) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5169077 0.84 ALDH1A1 (0.46) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5430345 0.84 ALDH1A1 (0.46) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5873915 0.82 JAK3 (0.43) NTRK1CDK2FLT3JAK3KDR
SCHEMBL5873916 0.82 JAK3 (0.43) NTRK1CDK2FLT3JAK3KDR
SCHEMBL5873956 0.81 NTRK1 (0.41) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5873953 0.81 NTRK1 (0.41) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5183095 0.81 PLK4 (0.43) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5183092 0.81 PLK4 (0.43) NTRK1RAF1CDK2CCNA2CCNA1
SCHEMBL5873979 0.79 CDK8 (0.37) CDK2CCNA2JAK3KDRMET

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 6/4885CDK2 24/4885
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 22/4885CDK2 108/4885

“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.