SCHEMBL15701082

SCHEMBL15701082

C[C@@H](C(=O)Nc1nc2ccc(NC(=O)c3cscn3)cc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.53
CYP2C8 P10632 4/20 0.51
CYP2D6 P10635 1/20 0.45
TEK Q02763 3/20 0.44
KDR P35968 2/20 0.44
RAF1 P04049 3/20 0.43
BRAF P15056 2/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CYP3A4 P08684 1/20 0.41
DDR2 Q16832 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
SCHEMBL15701292 1.00 CYP2C9 (0.53) CYP2C9CYP2C8CYP2D6TEKKDR
SCHEMBL15701290 1.00 CYP2C9 (0.53) CYP2C9CYP2C8CYP2D6TEKKDR
SCHEMBL19446744 0.94 CYP2C9 (0.53) CYP2C9CYP2C8CYP2D6TEKKDR
SCHEMBL15701279 0.88 GRM1 (0.43) CYP2C9CYP2C8TEKKDRRAF1
SCHEMBL15701109 0.88 GRM1 (0.43) CYP2C9CYP2C8TEKKDRRAF1
SCHEMBL15701105 0.88 GRM1 (0.43) CYP2C9CYP2C8TEKKDRRAF1
SCHEMBL15701286 0.86 PSEN1 (0.44) CYP2C9CYP2C8RAF1BRAFCSNK1D
SCHEMBL15701107 0.86 PSEN1 (0.44) CYP2C9CYP2C8RAF1BRAFCSNK1D
SCHEMBL15701291 0.86 PSEN1 (0.44) CYP2C9CYP2C8RAF1BRAFCSNK1D
SCHEMBL15701083 0.83 CYP2C9 (0.49) CYP2C9CYP2C8CYP2D6TEKKDR

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 2028/4885CYP2D6 3355/4885

“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.