SCHEMBL5873926

SCHEMBL5873926

CCOC(=O)c1cnc2c(c1)/C(=C/Nc1ccccc1OC)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
ALDH1A1 P00352 5/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAF1 P04049 1/20 0.41
NTRK1 P04629 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
MAP3K11 Q16584 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5873927 1.00 P2RY12 (0.45) P2RY12ALDH1A1RXFP1L3MBTL1NPSR1
SCHEMBL5873824 0.85 ALDH1A1 (0.37) P2RY12ALDH1A1RXFP1HPGDMAPT
SCHEMBL5873821 0.85 ALDH1A1 (0.37) P2RY12ALDH1A1RXFP1HPGDMAPT
SCHEMBL6872411 0.84 CDC25B (0.41) P2RY12ALDH1A1RXFP1L3MBTL1HPGD
SCHEMBL6872408 0.84 CDC25B (0.41) P2RY12ALDH1A1RXFP1L3MBTL1HPGD
SCHEMBL5873835 0.80 NTRK1 (0.57) ALDH1A1L3MBTL1NPSR1HPGDNPC1
SCHEMBL5873834 0.80 NTRK1 (0.57) ALDH1A1L3MBTL1NPSR1HPGDNPC1
SCHEMBL5873743 0.80 ALDH1A1 (0.46) ALDH1A1RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL5873740 0.80 ALDH1A1 (0.46) ALDH1A1RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL5873901 0.79 MAP3K11 (0.49) ALDH1A1NPSR1HPGDRAF1NTRK1

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 8 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

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 P2RY12 3508/4885ALDH1A1 3649/4885RXFP1 355/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX P2RY12 4019/4885ALDH1A1 4171/4885RXFP1 727/4885

“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.