SCHEMBL13777940

SCHEMBL13777940

CN(c1cccc(C(F)(F)F)c1)c1cc(Nc2cccc(NC(=O)C3CC3)c2)ncn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.74
ERBB4 Q15303 1/20 0.74
KDR P35968 11/20 0.71
AURKA O14965 2/20 0.58
LCK P06239 1/20 0.58
IGF1R P08069 1/20 0.58
EIF2AK2 P19525 1/20 0.58
SYK P43405 1/20 0.58
BMX P51813 1/20 0.58
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55

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
SCHEMBL13777945 0.96 EGFR (0.74) EGFRERBB4KDRAURKALCK
SCHEMBL242230 0.85 EGFR (1.00) EGFRERBB4KDRAURKALCK
SCHEMBL16907549 0.83 KDR (1.00) EGFRERBB4KDRBRAF
SCHEMBL4234991 0.81 THRB (0.54) EGFRERBB4KDRKDM4ETHRB
SCHEMBL4234986 0.81 AURKA (0.55) EGFRERBB4KDRAURKASYK
SCHEMBL4235267 0.79 AURKA (0.55) EGFRERBB4KDRAURKASYK
SCHEMBL13777941 0.78 KDR (0.81) EGFRERBB4KDRAURKALCK
SCHEMBL13777942 0.78 EGFR (0.80) EGFRERBB4KDRAURKALCK
SCHEMBL4235274 0.78 THRB (0.57) EGFRERBB4KDRAURKAKDM4E
SCHEMBL690595 0.75 EGFR (0.55) EGFRKDRLCKTUBB4ATUBB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 EGFR 42/4885ERBB4 19/4885KDR 116/4885

“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.