SCHEMBL4171115

SCHEMBL4171115

CCCCc1c(F)ccc2c(Cl)nc(Cl)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GCGR P47871 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ TLR8 Q9NR97 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
SCHEMBL2919013 0.76 EPRS1 (0.37) —
SCHEMBL29091569 0.72 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11862558 0.71 TYMP (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4171109 0.71 — —
SCHEMBL27296836 0.69 MAPT (0.35) —
SCHEMBL27295502 0.69 APP (0.34) MEN1KMT2AALDH1A1
SCHEMBL11655672 0.67 SKP2 (0.39) MEN1KMT2AADORA3TLR8
SCHEMBL649969 0.67 TLR8 (0.39) KMT2AALDH1A1TLR7TLR8
SCHEMBL16514341 0.66 ALDH1A1 (0.33) KMT2AALDH1A1
SCHEMBL29091614 0.66 ALDH1A1 (0.36) PDE4APDE3AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 — — US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 — — 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 (1 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 CCNB2 1382/4885CDK1 383/4885CCNB1 1005/4885

“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.

Send feedback