SCHEMBL16994745

SCHEMBL16994745

Cc1ccc(CC(=O)NCC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 3/20 0.58
MEN1 O00255 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.49
EPHX2 P34913 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PTPRZ1 P23471 1/20 0.46

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
SCHEMBL4482901 0.86 LMNA (0.64) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL14273740 0.84 HPGD (0.60) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL21178388 0.83 PTPRZ1 (0.46) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL17298901 0.80 LMNA (0.44) KMT2ALMNASMN1; SMN2GAAL3MBTL1
SCHEMBL13932527 0.78 KMT2A (0.83) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL13255794 0.78 HPGD (0.69) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL15610864 0.78 KMT2A (0.54) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL21391252 0.77 HPGD (0.83) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL934891 0.76 AOC2 (0.64) KMT2ALMNAHPGDMEN1RAB9A
SCHEMBL12471200 0.76 TRPV1 (0.48) KMT2ALMNAMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KMT2A 1713/4885LMNA 2451/4885HPGD 49/4885

“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.