SCHEMBL5873722

SCHEMBL5873722

O=C1Nc2ncc(Br)cc2C1=CNc1ccccc1CCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
RAF1 P04049 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
FLT3 P36888 1/20 0.37
JAK3 P52333 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CCNB1 P14635 1/20 0.33
CCR6 P51684 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
TGM2 P21980 2/20 0.32
METAP2 P50579 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL6884688 1.00 NTRK1 (0.45) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL6873793 0.87 JAK3 (0.42) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL6873796 0.87 JAK3 (0.42) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873726 0.83 MAPT (0.41) NTRK1RAF1CDK2FLT3TGM2
SCHEMBL5873728 0.83 MAPT (0.41) NTRK1RAF1CDK2FLT3TGM2
SCHEMBL6884680 0.82 RET (0.36) NTRK1CDK2FLT3JAK3CDK1
SCHEMBL6884674 0.82 RET (0.36) NTRK1CDK2FLT3JAK3CDK1
SCHEMBL5873946 0.82 JAK3 (0.37) JAK3CDK1
SCHEMBL5873944 0.82 JAK3 (0.37) JAK3CDK1
SCHEMBL5873824 0.81 ALDH1A1 (0.37) JAK3KMT2AMAPT

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 10 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
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.