SCHEMBL21945753

SCHEMBL21945753

C/N=C/c1[nH]nnc1-c1ccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.44
▸ SRD5A1 P18405 1/20 0.37
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ NR1H2 P55055 4/20 0.33
▸ RXRA P19793 3/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ PPARD Q03181 4/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ MAP2K4 P45985 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ MAPKAPK3 Q16644 1/20 0.31
▸ MAPK6 Q16659 1/20 0.31
▸ FOXM1 Q08050 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL21945695 0.90 NR1H2 (0.40) SRD5A2SRD5A1ABL1SRCNR1H2
SCHEMBL21945079 0.86 ESRRA (0.36) SRD5A2
SCHEMBL26070335 0.85 QPCT (0.32) QPCTMAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL18004488 0.80 SRD5A2 (0.47) SRD5A2SRD5A1NR1H2RXRANR1H3
SCHEMBL21945735 0.78 PRMT6 (0.34) NR1H2NR1H3
SCHEMBL21945093 0.76 ADORA2A (0.41) —
SCHEMBL21944756 0.76 ABCC8 (0.32) —
SCHEMBL26070378 0.76 MRGPRX4 (0.43) —
SCHEMBL26070309 0.76 SRD5A2 (0.34) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL21944841 0.74 C5AR1 (0.32) —

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SRD5A2 937/4885SRD5A1 764/4885ABL1 3292/4885

“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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