SCHEMBL13628637

SCHEMBL13628637

CCOc1ccc(-c2cc(NC(=O)c3ccc(CF)nc3C)ccc2Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
USP28 Q96RU2 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL13628808 0.92 USP28 (0.46) USP28
SCHEMBL16646061 0.91 CYP2C9 (0.44) USP28
SCHEMBL12214400 0.89 MAPT (0.42) TAS1R3TAS1R1MAPTTP53POLB
SCHEMBL12893085 0.89 TAS1R3 (0.49) TAS1R3TAS1R1USP28MAPTTP53
SCHEMBL12918707 0.88 USP28 (0.49) USP28
SCHEMBL16646169 0.88 USP28 (0.49) USP28
SCHEMBL16646161 0.87 USP28 (0.48) USP28
SCHEMBL12918705 0.87 USP28 (0.48) USP28
SCHEMBL1016694 0.87 CYP2C9 (0.56)
SCHEMBL15425126 0.85 USP28 (0.46) USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-20150105550-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS, INC. (US) 2015-04-16 US disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 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 (3 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-20150105550-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TAS1R3 765/4885TAS1R1 669/4885USP28 3306/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TAS1R3 765/4885TAS1R1 669/4885USP28 3306/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TAS1R3 765/4885TAS1R1 669/4885USP28 3306/4885

“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.