SCHEMBL2908475

SCHEMBL2908475

OC1CCN(C(c2ccccc2)c2c[nH]nc2-c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
EGFR P00533 1/20 0.35
NTRK1 P04629 1/20 0.35
PRKCG P05129 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
LYN P07948 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL2902536 0.85 OPRK1 (0.36) KCNA3L3MBTL3L3MBTL1KDM4EOPRK1
SCHEMBL2907788 0.85 LMNA (0.37) KCNA3MAPK1L3MBTL3L3MBTL1KDM4E
SCHEMBL2909897 0.78 KCNH2 (0.56) MAPK1KDM4EOPRK1OPRM1OPRD1
SCHEMBL2267354 0.77 L3MBTL3 (0.53) KCNA3L3MBTL3L3MBTL1KDM4EOPRK1
SCHEMBL2267306 0.77 L3MBTL3 (0.53) KCNA3L3MBTL3L3MBTL1KDM4EOPRK1
SCHEMBL2908249 0.75 ALDH1A1 (0.44) MAPK1L3MBTL1OPRM1OPRD1ALDH1A1
SCHEMBL2908848 0.74 LRRK2 (0.36) GSK3B
SCHEMBL2901677 0.74 MAPT (0.39) KDM4EALDH1A1MEN1KMT2AP4HB
SCHEMBL2908342 0.72 ITGB2 (0.38) MAPK1L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL5745466 0.69 SLC6A9 (0.47) KCNA3L3MBTL3L3MBTL1OPRK1OPRL1

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
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 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 KCNA3 306/4885CDC7 4837/4885PLK4 1240/4885

“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.