SCHEMBL13464866

SCHEMBL13464866

COc1ccc(N(C)c2nc(C)nc3oc4ccccc4c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.62
▸ EGFR P00533 8/20 0.62
▸ PDGFRB P09619 8/20 0.62
▸ PDGFRA P16234 3/20 0.59
▸ TUBB3 Q13509 5/20 0.47
▸ ABCB1 P08183 4/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47

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
Verubulin SCHEMBL2232326 0.77 KDR (1.00) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL29379614 0.77 KDR (1.00) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL29505369 0.76 KDR (0.97) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL2395194 0.76 KDR (0.97) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL1366266 0.75 TUBB3 (0.61) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL3124173 0.74 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL14207894 0.74 KDR (0.57) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL3112156 0.73 KDR (0.66) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL4845879 0.73 KDR (0.62) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL3114812 0.71 KDR (0.66) KDREGFRPDGFRBPDGFRATUBB3

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-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2012-10-18 — — 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-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK KDR 32/4885EGFR 9/4885PDGFRB 283/4885

“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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