SCHEMBL2907439

SCHEMBL2907439

CCNCC(c1ccccc1)c1c[nH]nc1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HTT P42858 1/20 0.35
TACR3 P29371 2/20 0.35
CTSA P10619 5/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GRIA4 P48058 2/20 0.32
HTR7 P34969 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL2904868 0.76 CHRM3 (0.37) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2905437 0.76 MEN1 (0.34) JAK2JAK3TACR3CTSAKDM4E
SCHEMBL2905013 0.74 MEN1 (0.37) TACR3CTSAKDM4EHTR7TDP1
SCHEMBL2908468 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2907391 0.69 OPRM1 (0.50) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL11620496 0.68 HSP90AA1 (0.46) JAK2JAK3KDM4EALDH1A1HTR7
SCHEMBL12231496 0.68 GRIN1 (0.57) HTTKDM4ETDP1MEN1KMT2A
SCHEMBL2906133 0.67 HSP90AA1 (0.43) HTTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11625109 0.66 MBNL1 (0.47) JAK2JAK3KDM4EALDH1A1HTR7
SCHEMBL2902536 0.64 OPRK1 (0.36) KDM4EMEN1KMT2A

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 3 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
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 JAK2 830/4885JAK3 873/4885HTT 501/4885

“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.