SCHEMBL16747893

SCHEMBL16747893

Cc1nc2ccc(F)cn2c1-c1cc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ROCK2 O75116 6/20 0.34
▸ MAP3K14 Q99558 2/20 0.32
▸ P2RX3 P56373 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ GALR2 O43603 1/20 0.31
▸ GALR1 P47211 1/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ DHFR P00374 1/20 0.31

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
SCHEMBL16740076 0.88 ABCG2 (0.34) ABCG2ABCB1ABCC1ROCK2P2RX3
SCHEMBL16740266 0.86 BRAF (0.36) ABCG2ABCB1ABCC1ROCK2P2RX3
SCHEMBL16740101 0.86 ROCK2 (0.32) AGPAT2ROCK2GALR2GALR1CYP3A4
SCHEMBL16747876 0.79 AGPAT2 (0.41) AGPAT2ABCB1MAP3K14PIK3CDPIK3CA
SCHEMBL16747941 0.77 ABCG2 (0.33) ABCG2ABCB1ABCC1P2RX3GALR2
SCHEMBL16740028 0.76 MAP3K14 (0.35) MAP3K14PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16740079 0.76 GALR2 (0.37) ABCG2PIK3CDPIK3CBPIK3CGGALR2
SCHEMBL16747901 0.75 P2RX3 (0.32) P2RX3
SCHEMBL18094398 0.75 PDE4B (0.36) ABCG2ABCB1ABCC1ROCK2P2RX3
SCHEMBL16740289 0.75 CYP11B2 (0.39) ROCK2GALR2GALR1CYP3A4

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 5 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
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 AGPAT2 4306/4885ABCG2 4475/4885ABCB1 2939/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B AGPAT2 4306/4885ABCG2 4475/4885ABCB1 2939/4885

“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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