SCHEMBL18094404

SCHEMBL18094404

OCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(C(F)(F)F)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.38
▸ HSD17B14 Q9BPX1 1/20 0.37
▸ ACP1 P24666 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL16747905 0.86 TRPA1 (0.33) IDO1ACP1P2RX3BCDIN3DDHODH
SCHEMBL18094394 0.86 DHODH (0.39) IDO1HSD17B14ACP1MEN1CYP1A2
SCHEMBL18094405 0.83 FLT3 (0.34) HSD17B14P2RX3TRPA1MAP3K5FLT3
SCHEMBL18094397 0.83 CYP11B1 (0.36) HSD17B14ACP1MEN1CYP1A2CYP3A4
SCHEMBL18094380 0.79 ROCK1 (0.38) P2RX3MEN1KMT2ABCDIN3DTRPA1
SCHEMBL16747987 0.74 KCNH2 (0.40) —
SCHEMBL16740204 0.74 CYP11B2 (0.39) IDO1CYP3A4BCDIN3DDHODH
SCHEMBL16740212 0.73 CSNK1D (0.36) DHODHTRPA1
SCHEMBL16747856 0.72 PKM (0.37) ACP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16739933 0.72 ABCG2 (0.37) IDO1ACP1DHODHTRPA1KIF11

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 2 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

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 IDO1 1325/4885HSD17B14 3671/4885ACP1 872/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B IDO1 1325/4885HSD17B14 3671/4885ACP1 872/4885

“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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