SCHEMBL15701083

SCHEMBL15701083

CCC(C(=O)Nc1nc2cc(NC(=O)c3cscn3)ccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.49
CYP2C8 P10632 5/20 0.48
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2D6 P10635 1/20 0.46
KCNQ2 O43526 1/20 0.42
ROCK2 O75116 1/20 0.40
IDH2 P48735 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAF1 P04049 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
BRAF P15056 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
SCHEMBL19446744 0.90 CYP2C9 (0.53) CYP2C9CYP2C8CYP3A4CYP2D6KDR
SCHEMBL15701103 0.89 HDAC1 (0.46) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL15701147 0.86 CYP2C9 (0.51) CYP2C9CYP2C8CYP3A4POLBSMN1; SMN2
SCHEMBL15701148 0.85 CYP2C9 (0.46) CYP2C9CYP2C8CYP3A4POLBCYP2D6
SCHEMBL15701292 0.83 CYP2C9 (0.53) CYP2C9CYP2C8CYP3A4CYP2D6RAF1
SCHEMBL15701082 0.83 CYP2C9 (0.53) CYP2C9CYP2C8CYP3A4CYP2D6RAF1
SCHEMBL15701290 0.83 CYP2C9 (0.53) CYP2C9CYP2C8CYP3A4CYP2D6RAF1
SCHEMBL17236098 0.83 CYP2C9 (0.49) CYP2C9CYP2C8CYP3A4MEN1ALDH1A1
SCHEMBL15701021 0.82 CYP2C9 (0.48) CYP2C9CYP2C8CYP3A4MEN1ALDH1A1
SCHEMBL15701104 0.82 TEK (0.51) CYP2C9CYP2C8CYP3A4MEN1ALDH1A1

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 2028/4885CYP3A4 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.