SCHEMBL16646161

SCHEMBL16646161

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 2/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
TRPV1 Q8NER1 1/20 0.43
ALB P02768 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
SHH Q15465 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SMO Q99835 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL16646169 0.91 USP28 (0.49) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12918707 0.91 USP28 (0.49) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12918705 0.90 USP28 (0.48) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12893084 0.88 NPY1R (0.50) USP28NPY1RNPY2RTRPV1ALB
SCHEMBL15425126 0.88 USP28 (0.46) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL16646141 0.88 XPO1 (0.47) USP28
SCHEMBL13628808 0.88 USP28 (0.46) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL13628637 0.87 TAS1R3 (0.48) USP28
SCHEMBL12918753 0.87 USP28 (0.45) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL12918416 0.85 ALB (0.60) USP28ALBHTR1ASLC6A2PDE4A

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 USP28 3306/4885NPY1R 223/4885NPY2R 833/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO USP28 3306/4885NPY1R 223/4885NPY2R 833/4885

“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.