SCHEMBL22432432

SCHEMBL22432432

Cc1nc(N(C)c2ccc(O)cc2)c2cc(C)oc2n1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.71
▸ EGFR P00533 16/20 0.71
▸ PDGFRB P09619 14/20 0.71
▸ PDGFRA P16234 10/20 0.71
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL13276054 0.83 KDR (0.68) KDREGFRPDGFRBPDGFRA
SCHEMBL3124173 0.83 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17858425 0.80 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837008 0.80 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837022 0.79 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837015 0.78 KDR (0.82) KDREGFRPDGFRBPDGFRA
SCHEMBL17837005 0.78 KDR (1.00) KDREGFRPDGFRBPDGFRAKDM4E
SCHEMBL17837014 0.78 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837028 0.75 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837012 0.74 PDGFRB (1.00) KDREGFRPDGFRBPDGFRAALDH1A1

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-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-09-17 — — 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-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT KDR 1248/4885EGFR 1574/4885PDGFRB 944/4885

“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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