SCHEMBL15701113

SCHEMBL15701113

CCCC(C(=O)Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.47
CYP2C8 P10632 4/20 0.47
CSNK1D P48730 7/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
DYRK1A Q13627 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
ROCK2 O75116 1/20 0.40
RAB9A P51151 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
SCHEMBL15701021 0.95 CYP2C9 (0.48) CYP2C9CYP2C8CSNK1DMEN1KMT2A
SCHEMBL15701114 0.94 CYP2C9 (0.46) CYP2C9CYP2C8CSNK1DMAPTDYRK1A
SCHEMBL15701260 0.92 CYP2C9 (0.44) CYP2C9CYP2C8CSNK1DMEN1KMT2A
SCHEMBL15701150 0.92 CYP2C9 (0.44) CYP2C9CYP2C8CSNK1DDYRK1ACYP3A4
SCHEMBL15701023 0.92 CYP2C9 (0.45) CYP2C9CYP2C8CSNK1DDYRK1ACYP3A4
SCHEMBL19446734 0.92 CYP2C9 (0.46) CYP2C9CYP2C8CSNK1DDYRK1ACYP3A4
SCHEMBL15701240 0.91 CYP2C9 (0.44) CYP2C9CYP2C8CSNK1DMEN1KMT2A
SCHEMBL15701253 0.89 CYP2C9 (0.43) CYP2C9CYP2C8CSNK1DMEN1KMT2A
SCHEMBL15701245 0.89 CYP2C9 (0.43) CYP2C9CYP2C8CSNK1DMEN1KMT2A
SCHEMBL15701223 0.89 CYP2C9 (0.51) CYP2C9CYP2C8CSNK1DKDM4EDYRK1A

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 2028/4885CSNK1D 247/4885

“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.