SCHEMBL5873931

SCHEMBL5873931

COc1ccccc1NC=C1C(=O)Nc2ncccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 3/20 0.46
APP P05067 2/20 0.46
SNCA P37840 2/20 0.46
RAF1 P04049 2/20 0.45
NTRK1 P04629 2/20 0.45
STK10 O94804 3/20 0.44
SLK Q9H2G2 3/20 0.44
FLT3 P36888 1/20 0.43
CTRC Q99895 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
PRKCB P05771 2/20 0.41
GSK3B P49841 2/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL5873929 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDMAPTAPP
SCHEMBL5873835 0.82 NTRK1 (0.57) ALDH1A1NPSR1HPGDMAPTRAF1
SCHEMBL5873834 0.82 NTRK1 (0.57) ALDH1A1NPSR1HPGDMAPTRAF1
SCHEMBL5873932 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1HPGDMAPTSTK10
SCHEMBL5873930 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1HPGDMAPTSTK10
SCHEMBL5873901 0.81 MAP3K11 (0.49) ALDH1A1NPSR1HPGDMAPTRAF1
SCHEMBL5873896 0.81 MAP3K11 (0.49) ALDH1A1NPSR1HPGDMAPTRAF1
SCHEMBL5873908 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDMAPTNTRK1
SCHEMBL5873909 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDMAPTNTRK1
SCHEMBL8322866 0.79 NPC1 (0.66) ALDH1A1HPGDMAPTAPPSNCA

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 ALDH1A1 3649/4885NPSR1 1039/4885HPGD 4660/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX ALDH1A1 4171/4885NPSR1 2240/4885HPGD 4191/4885

“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.