SCHEMBL15701112

SCHEMBL15701112

COc1cc(NC(=O)c2cscn2)cc2sc(NC(=O)C(C)c3cccc(C(F)(F)F)c3)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
NCS1 P62166 1/20 0.41
GRM4 Q14833 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ACP1 P24666 1/20 0.40
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SCD O00767 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
IRAK1 P51617 1/20 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 0.97 CYP2C9 (0.45) CYP2C9CYP2C8NCS1GRM4PSEN1
SCHEMBL15701125 0.89 GRM4 (0.44) GRM4MAPTPOLBACP1ALDH1A1
SCHEMBL15701249 0.87 CYP2C9 (0.47) CYP2C9CYP2C8GRM4PSEN1PSEN2
SCHEMBL15701252 0.86 GRM4 (0.42) GRM4MAPTPOLBACP1ALDH1A1
SCHEMBL15701087 0.85 CYP2C9 (0.51) CYP2C9CYP2C8POLBCYP2D6ALDH1A1
SCHEMBL15701093 0.85 CYP2C9 (0.51) CYP2C9CYP2C8POLBCYP2D6ALDH1A1
SCHEMBL15701223 0.85 CYP2C9 (0.51) CYP2C9CYP2C8POLBCYP2D6ALDH1A1
SCHEMBL15701256 0.82 CSNK1D (0.49) CYP2C9NCS1GRM4MAPTHTT
SCHEMBL15701244 0.82 CYP2C9 (0.49) CYP2C9CYP2C8MAPTPOLBHTT
SCHEMBL15701234 0.78 CYP2C9 (0.51) CYP2C9CYP2C8POLBCYP2D6ALDH1A1

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 2373/4885CYP2C8 2028/4885NCS1 2878/4885

“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.