SCHEMBL336489

SCHEMBL336489

Cc1nc2ccnc(Cl)c2n1Cc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
GALR3 O60755 2/20 0.43
NR2F2 P24468 2/20 0.43
RAB9A P51151 1/20 0.43
TLR7 Q9NYK1 2/20 0.41
TNF P01375 1/20 0.39
DCTPP1 Q9H773 3/20 0.39
RAD52 P43351 1/20 0.38
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL10068122 0.83 MEN1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL336855 0.81 MEN1 (0.56) ALDH1A1SMN1; SMN2RAB9ANPSR1TYMS
SCHEMBL3974904 0.71 TNF (0.77) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL13200995 0.71 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2TP53MDM2
SCHEMBL31447620 0.71 DPP4 (0.41) KDM4EALDH1A1SMN1; SMN2RAB9ACDK9
SCHEMBL7498482 0.70 GALR3 (0.50) GALR3NR2F2RAB9ATNF
SCHEMBL22533423 0.69 DCTPP1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2952808 0.66 DYRK3 (0.33) DYRK1ADYRK2
SCHEMBL1923869 0.66 NPC1 (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL7932316 0.64 GALR3 (0.62) KDM4ESMN1; SMN2TP53GALR3NR2F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097727-B2 N,N′-diphenylurea derivatives which are suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2012-01-17 US disclosed
US-20080114026-A1 N,N'-Diphenylurea Derivatives Which are Suitable as Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-05-15 US disclosed
EP-1799679-B1 N,N'-DITHENYLUREA DERIVATIVES SUITABLE AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2008-01-23 EP disclosed
EP-1799679-A1 N,N'-DITHENYLUREA DERIVATIVES USED IN THE FORM OF KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006040039-A1 N,N'-DITHENYLUREA DERIVATIVES USED IN THE FORM OF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 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-20080114026-A1 N,N'-Diphenylurea Derivatives Which are Suitable as Kinase Inhibitors TIE1, RET, KDR KDM4E 773/4885ALDH1A1 1708/4885SMN1; SMN2 3178/4885

“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.