SCHEMBL5873655

SCHEMBL5873655

CCOC=C1C(=O)Nc2ncc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.49
RAF1 P04049 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 7/20 0.40
APAF1 O14727 1/20 0.40
MAP3K11 Q16584 2/20 0.34
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 4/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL7543661 1.00 NTRK1 (0.49) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5893904 1.00 NTRK1 (0.49) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873860 0.80 JAK3 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5893897 0.80 JAK3 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5894042 0.79 CYP2C9 (0.40) ALDH1A1APAF1MAP3K11KDM4EMAPT
SCHEMBL5873857 0.79 CYP2C9 (0.40) ALDH1A1APAF1MAP3K11KDM4EMAPT
SCHEMBL5873947 0.76 MAP3K11 (0.42) ALDH1A1APAF1MAP3K11JAK3
SCHEMBL5893958 0.76 MAP3K11 (0.42) ALDH1A1APAF1MAP3K11JAK3
SCHEMBL6806263 0.75 MAP3K11 (0.39) NTRK1ALDH1A1APAF1MAP3K11JAK3
SCHEMBL5873799 0.75 MAP3K11 (0.39) NTRK1ALDH1A1APAF1MAP3K11JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US disclosed
US-6624171-B1 Useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar- palmar syndrome, mucositis) induced by chemotherapy and/or radiation therapy SMITHKLINE BEECHAM CORPORATION 2003-09-23 US disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 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-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 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 (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-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
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 NTRK1 983/4885RAF1 126/4885CCNA2 82/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A NTRK1 548/4885RAF1 694/4885CCNA2 13/4885

“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.