SCHEMBL16646141

SCHEMBL16646141

Cc1nc(CF)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.46
USP28 Q96RU2 1/20 0.46

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
SCHEMBL16646169 0.89 USP28 (0.49) CYP2C9USP28
SCHEMBL12918707 0.89 USP28 (0.49) USP28
SCHEMBL1018441 0.88 GAA (0.61) CYP2C9GAA
SCHEMBL12918705 0.88 USP28 (0.48) CYP2C9USP28
SCHEMBL16646161 0.88 USP28 (0.48) USP28
SCHEMBL16646061 0.88 CYP2C9 (0.44) CYP2C9USP28
SCHEMBL15425126 0.85 USP28 (0.46) USP28
SCHEMBL13628808 0.85 USP28 (0.46) CYP2C9USP28
SCHEMBL12918753 0.85 USP28 (0.45) CYP2C9USP28
SCHEMBL13628637 0.85 TAS1R3 (0.48) GAAUSP28

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 3 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

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-20150105550-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO XPO1 817/4885JUN 1106/4885NFKB1 1841/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO XPO1 817/4885JUN 1106/4885NFKB1 1841/4885

“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.