SCHEMBL4182502

SCHEMBL4182502

CC(N)c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.68
ROCK1 Q13464 2/20 0.68
PTPN1 P18031 1/20 0.63
MITF O75030 1/20 0.61
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
ATM Q13315 1/20 0.60
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SNCA P37840 1/20 0.55
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4182497 1.00 ROCK2 (0.68) ROCK2ROCK1PTPN1MITFRAB9A
SCHEMBL17660220 0.87 PTPN1 (0.67) PTPN1MITFRAB9ANPC1ATM
SCHEMBL14846601 0.84 ROCK2 (0.72) ROCK2ROCK1PTPN1RAB9ANPC1
SCHEMBL10684470 0.83 PTPN1 (0.88) PTPN1MITFRAB9ANPC1ATM
Hydrochloric Acid SCHEMBL19177744 0.83 ROCK2 (0.73) ROCK2ROCK1PTPN1RAB9ANPC1
Hydrochloric Acid SCHEMBL19177742 0.83 ROCK2 (0.73) ROCK2ROCK1PTPN1RAB9ANPC1
SCHEMBL2564673 0.82 RAB9A (0.60) PTPN1MITFRAB9ANPC1ATM
SCHEMBL1553349 0.81 ROCK2 (1.00) ROCK2ROCK1RAB9ANPC1MEN1
SCHEMBL1554113 0.81 ROCK2 (1.00) ROCK2ROCK1RAB9ANPC1MEN1
SCHEMBL1553353 0.81 ROCK2 (1.00) ROCK2ROCK1RAB9ANPC1MEN1

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 ROCK2 3617/4885ROCK1 3547/4885PTPN1 2569/4885

“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.