SCHEMBL15701249

SCHEMBL15701249

Cc1cc(NC(=O)C(C)c2cccc(C(F)(F)F)c2)cc2sc(NC(=O)c3cscn3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.47
CYP2C8 P10632 4/20 0.47
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GRM4 Q14833 1/20 0.39
CYP2D6 P10635 3/20 0.39
DDR2 Q16832 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SENP7 Q9BQF6 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL15701040 0.90 CYP2C9 (0.45) CYP2C9CYP2C8GRM4CYP2D6PSEN1
SCHEMBL15701248 0.89 NPC1 (0.45) NPC1RAB9AGRM4PSEN1PSEN2
SCHEMBL15701244 0.87 CYP2C9 (0.49) CYP2C9CYP2C8NPC1RAB9ADDR2
SCHEMBL15701112 0.87 CYP2C9 (0.47) CYP2C9CYP2C8GRM4CYP2D6PSEN1
SCHEMBL15701087 0.84 CYP2C9 (0.51) CYP2C9CYP2C8NPC1RAB9ACYP2D6
SCHEMBL15701093 0.84 CYP2C9 (0.51) CYP2C9CYP2C8NPC1RAB9ACYP2D6
SCHEMBL15701223 0.84 CYP2C9 (0.51) CYP2C9CYP2C8NPC1RAB9ACYP2D6
SCHEMBL15701149 0.83 CSNK1D (0.51) CYP2C9NPC1RAB9AGRM4CYP3A4
SCHEMBL15701258 0.80 CYP2C9 (0.38) CYP2C9CYP2C8NPC1RAB9AGRM4
SCHEMBL15701252 0.78 GRM4 (0.42) NPC1RAB9AGRM4ALDH1A1MAPT

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-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 CYP2C9 2373/4885CYP2C8 2028/4885NPC1 504/4885

“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.