SCHEMBL16739738

SCHEMBL16739738

Cc1noc(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.47
CYP2C19 P33261 5/20 0.47
CYP3A4 P08684 4/20 0.47
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
HSD17B10 Q99714 4/20 0.45
LMNA P02545 3/20 0.45
CLK4 Q9HAZ1 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
IDH1 O75874 2/20 0.42
DHODH Q02127 1/20 0.40
MLYCD O95822 1/20 0.40
BRD4 O60885 2/20 0.39
EPHX2 P34913 2/20 0.39
ALOX15 P16050 3/20 0.38

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
SCHEMBL16739766 0.86 CYP1A2 (0.49) CYP1A2CYP2C19CYP3A4KCNH2SCN5A
SCHEMBL16739788 0.82 SRC (0.48) CYP1A2CYP2C19CYP3A4KCNH2SCN5A
SCHEMBL16740333 0.81 BMI1 (0.41) CYP1A2CYP2C19CYP3A4KCNH2SCN5A
SCHEMBL16739972 0.79 DHODH (0.52) KCNH2SCN5ASCN9AMAPK1IDH1
SCHEMBL16739642 0.78 ABL1 (0.48) KCNH2SCN5ASCN9ADHODHGPBAR1
SCHEMBL16739753 0.77 CYP1A2 (0.46) CYP1A2CYP2C19CYP3A4HSD17B10LMNA
SCHEMBL16739807 0.77 CYP1A2 (0.46) CYP1A2CYP2C19CYP3A4HSD17B10LMNA
SCHEMBL16739611 0.76 BRAF (0.53) CYP1A2CYP2C19CYP3A4HSD17B10LMNA
SCHEMBL16740320 0.76 BRAF (0.46) KCNH2SCN5ASCN9AMEN1KMT2A
SCHEMBL16739729 0.75 KCNH2 (0.43) KCNH2SCN5ASCN9ADHODHBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US claimed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US claimed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO 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 (2 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B CYP1A2 3989/4885CYP2C19 4597/4885CYP3A4 3791/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B CYP1A2 3989/4885CYP2C19 4597/4885CYP3A4 3791/4885

“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.