SCHEMBL1960596

SCHEMBL1960596

CC(C)(O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2I)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
KCNH2 Q12809 1/20 0.48
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
NR3C1 P04150 1/20 0.34
TGFBR1 P36897 3/20 0.34
PDK2 Q15119 1/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 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
SCHEMBL1961307 0.79 FAAH (0.77) FAAHKCNH2TNKSPARP1TNKS2
SCHEMBL1959439 0.78 FAAH (0.43) FAAHKCNH2TNKSPARP1TNKS2
SCHEMBL1962612 0.76 FAAH (0.48) FAAHKCNH2SRCBRAFKDR
SCHEMBL1964393 0.71 CA12 (0.45) FAAHKCNH2KDM4EMAPTCA12
SCHEMBL8002405 0.70 PTGS2 (0.33) FAAHKCNH2SRCBRAFKDR
SCHEMBL1961439 0.70 KDM4E (0.37) FAAHKCNH2KDM4EMAPTCA12
SCHEMBL1960842 0.68 ALDH1A1 (0.37) FAAHKCNH2SRCBRAFKDR
SCHEMBL8004571 0.67 FAAH (0.62) FAAHKCNH2KDM4EMAPTLMNA
SCHEMBL12552400 0.67 MIF (0.43) KDM4EMAPTNPC1LMNARAB9A
SCHEMBL23130243 0.65 NPC1 (0.42) SRCBRAFKDRKDM4ENPC1

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 5 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
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US 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 930/4885TNKS 1362/4885

“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.