SCHEMBL16748592

SCHEMBL16748592

Cc1nc2c(F)cc(F)cc2n1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
AGPAT2 O15120 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38
DHFR P00374 3/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.37
APP P05067 1/20 0.37
CYBB P04839 2/20 0.37
NOX4 Q9NPH5 2/20 0.37
NOX5 Q96PH1 1/20 0.36
NOX3 Q9HBY0 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36

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
SCHEMBL16748591 0.92 CYBB (0.44) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL16748427 0.90 MAPK1 (0.38) DHFRMAPK1APPCYBBNOX4
SCHEMBL16748436 0.90 AGPAT2 (0.42) EGFRAGPAT2NPC1RAB9ADHFR
SCHEMBL16748421 0.89 AGPAT2 (0.41) EGFRAGPAT2NPC1RAB9ACYP1A2
SCHEMBL16748586 0.88 MAPT (0.44) NPC1RAB9ACYP1A2CYP3A4DHFR
SCHEMBL16740870 0.88 BMI1 (0.48) AGPAT2APPCYBBNOX4NOX5
SCHEMBL16740820 0.86 ADORA3 (0.39) EGFRAGPAT2NPC1RAB9ACYP1A2
SCHEMBL16740775 0.85 BMI1 (0.50) NPC1RAB9ADHFRALDH1A1CYBB
SCHEMBL16748613 0.85 BMI1 (0.48) EGFRAGPAT2NPC1RAB9ACYP1A2
SCHEMBL15742524 0.84 BCL6 (0.35) EGFRAGPAT2NPC1RAB9ACYP1A2

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-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US claimed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US claimed
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
WO-2015076801-A1 SUBSTITUTED TRIAZINE 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 (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-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B EGFR 3189/4885AGPAT2 3973/4885NPC1 2824/4885

“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.