SCHEMBL15701246

SCHEMBL15701246

O=C(Nc1nc2ccc(NC(=O)C(CCN3CCOCC3)c3cccc(C(F)(F)F)c3)cc2s1)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
CASR P41180 11/20 0.43
THRB P10828 1/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
PIK3CA P42336 1/20 0.40
AURKB Q96GD4 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL15701247 0.96 LRRK2 (0.45) LRRK2CASRTHRBCYP2C8CYP2C9
SCHEMBL15701225 0.93 CASR (0.44) LRRK2CASRTHRBCYP2C8CYP2C9
SCHEMBL15701240 0.87 CYP2C9 (0.44) CYP2C8CYP2C9
SCHEMBL15701245 0.86 CYP2C9 (0.43) CYP2C8CYP2C9
SCHEMBL15701253 0.86 CYP2C9 (0.43) CYP2C8CYP2C9
SCHEMBL15701241 0.86 CYP2C9 (0.44) CYP2C8CYP2C9
SCHEMBL15701056 0.84 CYP2C9 (0.46) CYP2C8CYP2C9
SCHEMBL15701114 0.84 CYP2C9 (0.46) CYP2C8CYP2C9
SCHEMBL15701113 0.84 CYP2C9 (0.47) CYP2C8CYP2C9
SCHEMBL15701272 0.84 CASR (0.49) CASRAURKB

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 LRRK2 2185/4885CASR 3315/4885THRB 2229/4885

“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.