SCHEMBL15701092

SCHEMBL15701092

O=C(Nc1ccc2nc(NC(=O)C3(c4cccc(Cl)c4)CCC3)[nH]c2c1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 3/20 0.44
IDO1 P14902 5/20 0.43
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
GRM1 Q13255 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EP300 Q09472 3/20 0.39
CREBBP Q92793 3/20 0.39
PARP1 P09874 1/20 0.39
KCNH2 Q12809 1/20 0.38
MLLT1 Q03111 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL15701140 0.83 RAB9A (0.44) IDO1KDRMEN1KMT2ANPC1
SCHEMBL17148441 0.83 CYP2C9 (0.44) KDRTEKPARP1
SCHEMBL15707273 0.82 IDO1 (0.47) NR2E3IDO1GRM1EP300CREBBP
SCHEMBL15707577 0.81 IDO1 (0.45) IDO1GRM1EP300CREBBPPARP1
SCHEMBL15707573 0.81 IDO1 (0.44) NR2E3IDO1GRM1EP300CREBBP
SCHEMBL17236128 0.81 IDO1 (0.47) IDO1GRM1EP300CREBBPPARP1
SCHEMBL15701098 0.79 RAB9A (0.45) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL15701279 0.77 GRM1 (0.43) NR2E3KDRTEKGRM1MEN1
SCHEMBL15701109 0.77 GRM1 (0.43) NR2E3KDRTEKGRM1MEN1
SCHEMBL15701105 0.77 GRM1 (0.43) NR2E3KDRTEKGRM1MEN1

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 NR2E3 252/4885IDO1 1469/4885KDR 2395/4885

“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.