SCHEMBL16739752

SCHEMBL16739752

Cc1nc2ccccc2n1-c1cccc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.53
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
RAB9A P51151 2/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
BMI1 P35226 3/20 0.44
TNF P01375 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43

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
SCHEMBL19275969 0.83 MAPK1 (0.59) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL16740166 0.81 MAPK1 (0.53) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL16739793 0.81 MAPK1 (0.53) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL17542617 0.78 MAPK1 (0.53) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL12051637 0.77 LCK (0.61) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL18103434 0.77 MAPK1 (0.51) MAPK1TSHRPIK3CBSMN1; SMN2KDM4E
SCHEMBL540845 0.77 MAPK1 (0.59) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL1104808 0.77 MAPK1 (0.59) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL16740282 0.77 BMI1 (0.50) MAPK1HTTTSHRPIK3CDPIK3CA
SCHEMBL16739594 0.76 HTT (0.47) MAPK1HTTTSHRPIK3CDPIK3CA

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 MAPK1 726/4885HTT 4507/4885TSHR 3864/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B MAPK1 726/4885HTT 4507/4885TSHR 3864/4885

“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.