SCHEMBL12346307

SCHEMBL12346307

Cc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PDGFRB P09619 5/20 0.51
▸ KDR P35968 5/20 0.51
▸ EPHX2 P34913 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 1/20 0.44
▸ KCNJ6 P48051 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ IDH1 O75874 4/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ RET P07949 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CDK8 P49336 1/20 0.44

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
SCHEMBL31212719 0.89 KDR (0.61) PDGFRBKDRCA1CA2CA9
SCHEMBL57825 0.89 KDR (0.61) PDGFRBKDRCA1CA2CA9
SCHEMBL58537 0.88 CHRNA7 (0.51) MEN1KMT2AMAPTPDGFRBKDR
SCHEMBL2236665 0.87 KDR (0.49) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL2240127 0.86 RAF1 (0.53) MEN1KMT2AMAPTHTTPDGFRB
SCHEMBL12346305 0.85 KDR (0.50) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL423370 0.85 MAPT (0.59) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL19067997 0.85 PDGFRB (0.55) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL2237877 0.84 KDR (0.47) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL2238649 0.83 CYP1A2 (0.56) MEN1KMT2AMAPTHTTRAB9A

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-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 — — 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-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 MEN1 2411/4885KMT2A 3981/4885MAPT 3762/4885

“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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