SCHEMBL1960161

SCHEMBL1960161

CCCC[Sn](CCCC)(CCCC)c1ccn(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
PLD1 Q13393 1/20 0.36
MTOR P42345 2/20 0.35
GRIA1 P42261 4/20 0.34
CYP1A2 P05177 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1961906 0.80 MAPT (0.40) KDM4EMAPTHSD17B10CYP2C9
SCHEMBL6078181 0.76 MGLL (0.35)
SCHEMBL29390052 0.75 CYP1A2 (0.41) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL28505 0.75 CYP1A2 (0.41) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL4037008 0.75 CYP1A2 (0.41) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL1960092 0.75 NOTUM (0.35) CYP1A2KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL31024051 0.74 CYP1A2 (0.40) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL30275457 0.74 CYP1A2 (0.40) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL14689460 0.72 LMNA (0.40) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1
SCHEMBL19307688 0.72 LMNA (0.40) CYP1A2KDM4ESMN1; SMN2CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 GRM5 496/4885KDM5A 636/4885KDM4C 1622/4885

“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.