SCHEMBL2905437

SCHEMBL2905437

CCN(C)C(c1ccccc1)c1c[nH]nc1-c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TACR3 P29371 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
HTR2A P28223 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HSP90AA1 P07900 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL2905013 0.87 MEN1 (0.37) MEN1KMT2ATACR3KDM4EHTR2A
SCHEMBL2902350 0.83 TTK (0.35) MEN1KMT2ATACR3ALDH1A1HTR2A
SCHEMBL2907439 0.76 JAK2 (0.36) MEN1KMT2ATACR3KDM4EALDH1A1
SCHEMBL2904863 0.74 CCR5 (0.34) MEN1KMT2AKDM4EOPRM1
SCHEMBL8585165 0.72 HTR2A (0.48) MEN1KMT2AKDM4EALDH1A1HTR2A
SCHEMBL2908468 0.71 ALDH1A1 (0.41) MEN1KMT2AALDH1A1DRD2HSP90AA1
SCHEMBL2907391 0.69 OPRM1 (0.50) MEN1KMT2AKDM4EALDH1A1HTR2A
SCHEMBL2901695 0.69 ALOX15 (0.36) MEN1KMT2AKDM4EALDH1A1HTR2A
SCHEMBL11620496 0.68 HSP90AA1 (0.46) KDM4EALDH1A1JAK2JAK3HSP90AA1
SCHEMBL2906133 0.67 HSP90AA1 (0.43) MEN1KMT2AKDM4EALDH1A1HSP90AA1

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
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
CN-1768043-A 1,3,4-substituted pyrazoles for use as 5-ht receptor antagonists in the treatment of psychoses and neurological disorders. MERCK PATENT GMBH (DE) 2006-05-03 CN 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 MEN1 1857/4885KMT2A 2510/4885TACR3 435/4885

“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.