SCHEMBL16747876

SCHEMBL16747876

Cc1nc2ccc(F)cn2c1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 4/20 0.41
▸ DHODH Q02127 2/20 0.37
▸ BMI1 P35226 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP3K14 Q99558 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ USP7 Q93009 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34

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
SCHEMBL16747921 0.89 AGPAT2 (0.38) AGPAT2DHODHBMI1USP7SYK
SCHEMBL18100967 0.87 AGPAT2 (0.39) AGPAT2DHODHBMI1EGFRPDGFRB
SCHEMBL16747966 0.86 CSNK1D (0.40) AGPAT2DHODHBMI1EGFRPDGFRB
SCHEMBL16740216 0.85 MCHR1 (0.41) AGPAT2BMI1SYK
SCHEMBL18100964 0.85 BMI1 (0.36) AGPAT2DHODHBMI1ABCB1POLB
SCHEMBL15741400 0.84 AGPAT2 (0.39) AGPAT2DHODHBMI1ABCB1USP7
SCHEMBL16540578 0.84 BMI1 (0.39) AGPAT2BMI1MAP3K14KCNH2SCN9A
SCHEMBL18100965 0.84 KMT2A (0.39) AGPAT2DHODHABCB1POLB
SCHEMBL16747837 0.84 KCNH2 (0.42) AGPAT2DHODHBMI1KCNH2SCN5A
SCHEMBL16747893 0.79 AGPAT2 (0.36) AGPAT2MAP3K14ABCB1PIK3CDPIK3R1

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 4306/4885DHODH 3196/4885BMI1 1/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B AGPAT2 4306/4885DHODH 3196/4885BMI1 1/4885

“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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