SCHEMBL15701094

SCHEMBL15701094

O=C(Nc1ccc2nc(NC(=O)C(CCCn3ccnc3)c3cccc(C(F)(F)F)c3)sc2c1)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.45
CYP2C8 P10632 4/20 0.45
CYP3A4 P08684 1/20 0.42
ROCK2 O75116 1/20 0.39
CSNK1D P48730 4/20 0.38
QPCT Q16769 2/20 0.38
CYP2D6 P10635 1/20 0.38
CBLB Q13191 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
DYRK1A Q13627 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
SCHEMBL15701241 0.93 CYP2C9 (0.44) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701150 0.88 CYP2C9 (0.44) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701114 0.87 CYP2C9 (0.46) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701113 0.87 CYP2C9 (0.47) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701023 0.86 CYP2C9 (0.45) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701225 0.86 CASR (0.44) CYP2C9CYP2C8
SCHEMBL15701260 0.85 CYP2C9 (0.44) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701253 0.85 CYP2C9 (0.43) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL19446734 0.85 CYP2C9 (0.46) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D
SCHEMBL15701021 0.85 CYP2C9 (0.48) CYP2C9CYP2C8CYP3A4ROCK2CSNK1D

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 6 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-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
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 2028/4885CYP3A4 1215/4885

“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.