SCHEMBL16740161

SCHEMBL16740161

COc1cc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ PSEN1 P49768 4/20 0.34
▸ PSEN2 P49810 4/20 0.34
▸ APH1B Q8WW43 4/20 0.34
▸ NCSTN Q92542 4/20 0.34
▸ APH1A Q96BI3 4/20 0.34
▸ PSENEN Q9NZ42 4/20 0.34
▸ FLT3 P36888 2/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32

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
SCHEMBL16740102 0.88 ACP1 (0.41) ABCG2TRPA1MAPT
SCHEMBL16740240 0.87 BRAF (0.36) ABCG2ABCB1ABCC1BRAFTRPA1
SCHEMBL16740183 0.86 KDM4E (0.43) ABCG2ABCB1ABCC1TSHRTRPA1
SCHEMBL16740237 0.86 AGPAT2 (0.41) ABCG2BRAFTRPA1TP53POLB
SCHEMBL16740141 0.86 SLC2A1 (0.42) ABCG2TRPA1TP53POLBMAPT
SCHEMBL16740076 0.85 ABCG2 (0.34) ABCG2ABCB1ABCC1TRPA1PIK3CA
SCHEMBL16740095 0.84 ACP1 (0.39) ABCG2POLBMAPT
SCHEMBL16740103 0.84 TRPA1 (0.41) ABCG2ABCC1TSHRTRPA1TP53
SCHEMBL16740389 0.84 ABCG2 (0.42) ABCG2ABCB1ABCC1TRPA1MAPT
SCHEMBL16739933 0.84 ABCG2 (0.37) 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 11 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-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 — — US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 — — US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 — — WO disclosed
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 (3 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-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 KCNH2 4821/4885ABCG2 767/4885ABCB1 278/4885
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B KCNH2 3952/4885ABCG2 4475/4885ABCB1 2939/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B KCNH2 3952/4885ABCG2 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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