SCHEMBL6744945

SCHEMBL6744945

Cn1nc(C(F)(F)F)c(C#N)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
NCOA1 Q15788 2/20 0.47
NCOA3 Q9Y6Q9 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.38
CYP1A2 P05177 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 2/20 0.34

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
SCHEMBL27570741 0.81 LMNA (0.43) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL13184169 0.79 LMNA (0.55) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL4625127 0.78 LMNA (0.54) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL9518977 0.78 LMNA (0.54) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL16402642 0.75 LMNA (0.51) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL17207364 0.74 KMT2A (0.42) LMNAKMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9268404 0.74 HTT (0.36) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL5443096 0.74 LMNA (1.00) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL3331795 0.72 CYP2C19 (0.41) LMNAKMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16402575 0.72 KMT2A (0.37) LMNAKMT2AL3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951169-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-28 EP disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-20040019221-A1 Processes for the preparation of pyrazole compounds NIPPON SODA CO., LTD. (JP) 2004-01-29 US disclosed
EP-1318145-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE COMPOUNDS NIPPON SODA CO., LTD. (JP) 2003-06-11 EP 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 (4 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-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R LMNA 3996/4885KMT2A 3823/4885L3MBTL1 3612/4885
US-20040019221-A1 Processes for the preparation of pyrazole compounds CBR1, CPS1, CYC1 LMNA 1678/4885KMT2A 3491/4885L3MBTL1 4474/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R LMNA 3996/4885KMT2A 3823/4885L3MBTL1 3612/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS LMNA 4150/4885KMT2A 3757/4885L3MBTL1 3501/4885

“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.