SCHEMBL16739933

SCHEMBL16739933

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1G2 P78368 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ IDO1 P14902 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
SCHEMBL16747966 0.88 CSNK1D (0.40) ABCG2DHODHTRPA1CSNK1DCSNK1G2
SCHEMBL16747905 0.87 TRPA1 (0.33) ABCG2DHODHTRPA1KIF11BACE2
SCHEMBL16740104 0.86 CYP11B2 (0.39) DHODHTRPA1KIF11ACP1CYP11B2
SCHEMBL16740141 0.86 SLC2A1 (0.42) ABCG2TRPA1CSNK1DCSNK1G2SLC2A1
SCHEMBL18094394 0.85 DHODH (0.39) DHODHACP1IDO1
SCHEMBL16740204 0.84 CYP11B2 (0.39) DHODHCYP11B2CYP11B1IDO1
SCHEMBL16740237 0.84 AGPAT2 (0.41) ABCG2TRPA1CSNK1DCSNK1G2SLC2A1
SCHEMBL16740103 0.84 TRPA1 (0.41) ABCG2TRPA1CSNK1DSLC2A1
SCHEMBL16740389 0.84 ABCG2 (0.42) ABCG2TRPA1CSNK1DSLC2A1PIK3CD
SCHEMBL16740161 0.84 KCNH2 (0.38) ABCG2TRPA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US claimed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 — — EP claimed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO claimed
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 ABCG2 4475/4885DHODH 3196/4885TRPA1 4717/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ABCG2 4475/4885DHODH 3196/4885TRPA1 4717/4885

“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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