SCHEMBL15701258

SCHEMBL15701258

Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cc2sc(NC(=O)c3cscn3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM4 Q14833 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CYP2C8 P10632 4/20 0.37
CYP2D6 P10635 1/20 0.37
SENP7 Q9BQF6 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDH2 P48735 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL15701254 0.89 NPC1 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL15701034 0.84 CSNK1D (0.44) CYP2C9ALDH1A1MAPTKDM4ENPC1
SCHEMBL17148310 0.82 CSNK1D (0.44) CYP2C9ALDH1A1MAPTKDM4ENPC1
SCHEMBL15701149 0.82 CSNK1D (0.51) CYP2C9MAPTGRM4NPC1RAB9A
SCHEMBL15701267 0.81 CSNK1D (0.45) CYP2C9ALDH1A1MAPTKDM4ENPC1
SCHEMBL15701249 0.80 CYP2C9 (0.47) CYP2C9ALDH1A1MAPTKDM4EGRM4
SCHEMBL17148441 0.74 CYP2C9 (0.44) CYP2C9CYP2C8CYP2D6CYP3A4IDH2
SCHEMBL15701256 0.73 CSNK1D (0.49) CYP2C9MAPTGRM4CYP3A4MEN1
SCHEMBL15707281 0.73 CYP2C9 (0.42) CYP2C9MAPTCYP2C8CYP2D6CYP3A4
SCHEMBL15701140 0.73 RAB9A (0.44) ALDH1A1MAPTKDM4ENPC1RAB9A

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
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
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 2373/4885ALDH1A1 2565/4885MAPT 2425/4885

“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.