SCHEMBL16739675

SCHEMBL16739675

N#Cc1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GLA P06280 5/20 0.41
▸ GAA P10253 5/20 0.41
▸ NR1I3 Q14994 2/20 0.40
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ADCY10 Q96PN6 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL18100948 0.82 CDK2 (0.47) KDM4EALDH1A1GLAGAANR1I3
SCHEMBL16740149 0.80 PKM (0.46) KDM4EALDH1A1GLAGAANR1I3
SCHEMBL16740179 0.80 ALDH1A1 (0.42) ALDH1A1NR1I3HSD17B10NPC1RAB9A
SCHEMBL16740008 0.79 HSD17B10 (0.41) KDM4EALDH1A1GLAGAANR1I3
SCHEMBL16740137 0.77 THRB (0.39) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL16740211 0.77 TUBB4A (0.46) KDM4ENPC1RAB9AMEN1MAPT
SCHEMBL16740030 0.77 HSD17B10 (0.40) KDM4EALDH1A1GLAGAANR1I3
SCHEMBL16740327 0.75 GALR2 (0.40) KDM4EALDH1A1GLAGAACSNK1D
SCHEMBL16747916 0.75 GAA (0.38) KDM4EALDH1A1GLAGAACSNK1D
SCHEMBL16747873 0.75 KDM4E (0.45) KDM4EALDH1A1GLAGAANR1I3

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 6 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
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 KDM4E 102/4885ALDH1A1 1727/4885GLA 4302/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B KDM4E 102/4885ALDH1A1 1727/4885GLA 4302/4885

“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.

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