SCHEMBL1963320

SCHEMBL1963320

COC(=O)c1ccc2nc(-c3ccnn3C3CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
HTT P42858 1/20 0.46
PDE4B Q07343 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RPS6KB1 P23443 1/20 0.39
LCK P06239 1/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BRD4 O60885 1/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1961892 0.86 ATR (0.45) ALOX15HTTNPC1RAB9AKMT2A
SCHEMBL1959491 0.81 ALOX15 (0.42) ALOX15HTTPDE4BNPC1RAB9A
SCHEMBL1962401 0.76 ALOX15 (0.44) ALOX15HTTPDE4BNPC1RAB9A
SCHEMBL904780 0.74 CYP11B1 (0.47) ALOX15HTTNPC1RAB9AHSP90AA1
SCHEMBL1964611 0.73 ALOX15 (0.41) ALOX15HTTPDE4BNPC1RAB9A
SCHEMBL31413459 0.73 ALOX15 (0.45) ALOX15HTTPDE4BNPC1RAB9A
SCHEMBL27150781 0.73 ALOX15 (0.45) ALOX15HTTPDE4BNPC1RAB9A
SCHEMBL15016182 0.72 CYP4F2 (0.50)
SCHEMBL30040346 0.72 HTR1A (0.50) NPC1RAB9AHSP90AA1RPS6KB1LCK
SCHEMBL8004746 0.72 KMT2A (0.38) NPC1RAB9AKMT2AALDH1A1KDM4E

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-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
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 ALOX15 15/4885HTT 872/4885PDE4B 382/4885

“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.