SCHEMBL18100967

SCHEMBL18100967

Cc1nc2ccc(F)cn2c1-c1cc(NO)cc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.39
▸ DHODH Q02127 2/20 0.37
▸ BMI1 P35226 3/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL18100964 0.90 BMI1 (0.36) AGPAT2DHODHBMI1MCHR1ABCB1
SCHEMBL16739922 0.89 AGPAT2 (0.35) AGPAT2DHODHBMI1SYKGPR139
SCHEMBL16747876 0.87 AGPAT2 (0.41) AGPAT2DHODHBMI1ABCB1SYK
SCHEMBL16747966 0.85 CSNK1D (0.40) AGPAT2DHODHBMI1ABCB1SYK
SCHEMBL18100965 0.83 KMT2A (0.39) AGPAT2DHODHABCB1POLB
SCHEMBL16747837 0.83 KCNH2 (0.42) AGPAT2DHODHBMI1MCHR1CYP11B1
SCHEMBL16747881 0.80 MCHR1 (0.33) AGPAT2DHODHBMI1MCHR1SYK
SCHEMBL16540578 0.79 BMI1 (0.39) AGPAT2BMI1
SCHEMBL15741400 0.79 AGPAT2 (0.39) AGPAT2DHODHBMI1MCHR1ABCB1
SCHEMBL18103453 0.79 FADS1 (0.32) CYP11B1CYP11B2

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 1 patent. 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 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 (1 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

“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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