SCHEMBL4172844

SCHEMBL4172844

NCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.65
CCR3 P51677 1/20 0.60
ROCK2 O75116 2/20 0.60
ROCK1 Q13464 2/20 0.60
CTNNB1 P35222 2/20 0.56
TCF7L2 Q9NQB0 2/20 0.56
SCN4A P35499 2/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4184584 0.89 CCR3 (0.62) LTA4HCCR3CTNNB1TCF7L2KMT2A
SCHEMBL6154047 0.86 LTA4H (0.67) LTA4HCCR3ROCK2ROCK1
SCHEMBL1554194 0.84 TDP1 (0.61) LTA4HCCR3ROCK2ROCK1
SCHEMBL30182449 0.81 KMT2A (0.74) KMT2A
SCHEMBL2579208 0.81 KMT2A (0.74) KMT2A
SCHEMBL30182461 0.81 KMT2A (0.74) KMT2A
SCHEMBL8094101 0.81 POLB (0.65) CCR3ROCK2ROCK1KMT2A
SCHEMBL28410341 0.80 MEN1 (0.61) KMT2A
SCHEMBL11370228 0.79 AOC3 (0.63) KMT2A
SCHEMBL22470297 0.78 MEN1 (0.62) KMT2A

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 1 patent. 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

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 LTA4H 3037/4885CCR3 3024/4885ROCK2 3617/4885

“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.