SCHEMBL1964393

SCHEMBL1964393

COC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2I)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1959438 0.87 GABRA5 (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL1959626 0.79 L3MBTL1 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL1535331 0.79 FAAH (0.67) CA12CA1CA2CA9KDM4E
SCHEMBL1964390 0.73 KMT2A (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL1961439 0.72 KDM4E (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL1960596 0.71 FAAH (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL7941243 0.71 MAPK14 (0.40) KDM4EL3MBTL1RAB9ANPC1LMNA
SCHEMBL1960842 0.70 ALDH1A1 (0.37) KDM4EFAAHKCNH2MAPTMAPK1
SCHEMBL1964839 0.68 KDM4E (0.39) KDM4EL3MBTL1MAPTMAPK1PTGS2
SCHEMBL19120470 0.68 CA12 (0.57) CA12CA1CA2CA9KDM4E

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 CA12 4761/4885CA1 2612/4885CA2 2711/4885

“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.