SCHEMBL1961941

SCHEMBL1961941

O=CCc1cnc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.64
KCNH2 Q12809 3/20 0.64
CDK2 P24941 3/20 0.34
CCNE1 P24864 1/20 0.34
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1535352 0.90 FAAH (0.51) FAAHKCNH2CDK2CCNE1KDM4E
SCHEMBL1963544 0.85 FAAH (0.67) FAAHKCNH2CDK2CCNE1RXRA
SCHEMBL1961135 0.85 FAAH (0.67) FAAHKCNH2CDK2CCNE1KDM4E
SCHEMBL8001300 0.82 FAAH (0.73) FAAHKCNH2CDK2CCNE1RXRA
SCHEMBL15016219 0.80 FAAH (0.68) FAAHKCNH2CDK2CCNE1KDM4E
SCHEMBL12551879 0.80 FAAH (0.70) FAAHKCNH2CDK2CCNE1KMT2A
SCHEMBL1961136 0.79 FAAH (0.67) FAAHKCNH2CDK2CCNE1KDM4E
SCHEMBL12551892 0.78 FAAH (0.70) FAAHKCNH2CDK2CCNE1ALDH1A1
SCHEMBL8001298 0.78 FAAH (0.82) FAAHKCNH2CDK2CCNE1ALDH1A1
SCHEMBL1959250 0.78 FAAH (1.00) FAAHKCNH2CDK2CCNE1ALDH1A1

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-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP claimed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US claimed
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 FAAH 1/4885KCNH2 930/4885CDK2 704/4885

“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.