SCHEMBL15701130

SCHEMBL15701130

O=C(Nc1ccc(NC(=O)C(CCCO)c2cccc(C(F)(F)F)c2)cn1)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.45
CYP2C8 P10632 4/20 0.45
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 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
SCHEMBL15701221 0.92 CYP2C9 (0.49) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6
SCHEMBL19457525 0.91 CYP2C9 (0.38) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6
SCHEMBL19446803 0.89 CYP2C9 (0.52) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6
SCHEMBL15701129 0.87 EPHX2 (0.44) CYP2C9CYP2C8MAPK14
SCHEMBL15701045 0.86 CYP2C9 (0.52) CYP2C9CYP2C8CYP2D6MEN1KMT2A
SCHEMBL15701081 0.86 CYP2C9 (0.52) CYP2C9CYP2C8CYP2D6MEN1KMT2A
SCHEMBL15701282 0.85 CYP2C9 (0.40) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6
SCHEMBL15701253 0.83 CYP2C9 (0.43) CYP2C9CYP2C8ROCK2CYP3A4MEN1
SCHEMBL15707276 0.82 CYP2C9 (0.47) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6
SCHEMBL15701150 0.81 CYP2C9 (0.44) CYP2C9CYP2C8ROCK2CYP3A4CYP2D6

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 2028/4885ROCK2 1586/4885

“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.