SCHEMBL16739655

SCHEMBL16739655

COc1ccc(Nc2ccc(C#N)c(Cl)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
GAA P10253 8/20 0.53
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 6/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
HPGD P15428 4/20 0.45
DHFR P00374 2/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL22401213 0.80 NPC1 (0.57) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL12936379 0.79 ABCG2 (0.46) MAPT
SCHEMBL16739541 0.77 MEN1 (0.56) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL16739535 0.75 MAPT (0.63) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL17498399 0.75 ALDH1A1 (0.70) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL31484158 0.74 KDM4E (0.59) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL27262129 0.72 GAA (0.52) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL21596310 0.72 MEN1 (0.54) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL30379400 0.72 MEN1 (0.54) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL2175734 0.72 MAPT (0.59) MAPTGAAALDH1A1RAB9AHTT

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 7 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 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 MAPT 4561/4885GAA 4374/4885ALDH1A1 1727/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B MAPT 4561/4885GAA 4374/4885ALDH1A1 1727/4885

“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.