SCHEMBL29439006

SCHEMBL29439006

FC(F)(F)c1nc2ccccn2c1-c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GLA P06280 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CDK4 P11802 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ USP7 Q93009 3/20 0.37

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
SCHEMBL15742444 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1GAAKDM4EGLA
SCHEMBL15742317 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1GAAKDM4EGLA
SCHEMBL15747435 0.78 PKM (0.48) ALDH1A1CDK4CDK2CCNE1
SCHEMBL15741302 0.77 CDK2 (0.49) ALDH1A1KDM4EGLANPC1CDK4
SCHEMBL15742599 0.77 SMN1; SMN2 (0.45) ALDH1A1GAAKDM4EHPGDCDK4
SCHEMBL15742757 0.77 CYP1A2 (0.44) ALDH1A1GAAKDM4EHPGDNPC1
SCHEMBL10188084 0.76 USP7 (0.51) HSD17B10ALDH1A1GAAKDM4EGLA
SCHEMBL15743079 0.75 GAA (0.48) ALDH1A1GAAKDM4EHPGDCDK4
SCHEMBL15742454 0.75 TUBB4A (0.47) ALDH1A1NPC1CDK4CDK2CCNE1
SCHEMBL21863415 0.75 HSD17B10 (0.51) HSD17B10ALDH1A1GAAKDM4EGLA

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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 — — 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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A HSD17B10 3474/4885ALDH1A1 1803/4885GAA 3971/4885

“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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