SCHEMBL2902349

SCHEMBL2902349

CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 4/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
AGTR1 P30556 2/20 0.52
MAPK1 P28482 3/20 0.52
GAA P10253 3/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2901692 0.87 KDM4E (0.60) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL2905435 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL12943711 0.82 KDM4E (0.69) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL30384720 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTNPSR1KMT2A
SCHEMBL10058002 0.79 KDM4E (0.62) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL13257234 0.75 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL29528289 0.75 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL953073 0.75 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL11249366 0.75 KDM4E (0.93) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL2908246 0.75 DRD2 (0.56) KDM4EALDH1A1MAPTNPSR1HSD17B10

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-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A KDM4E 3489/4885ALDH1A1 1336/4885MAPT 1204/4885

“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.