SCHEMBL4290591

SCHEMBL4290591

Nc1ccc(Oc2ncnc3cc[nH]c23)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
EGFR P00533 13/20 0.42
ERBB2 P04626 12/20 0.41
ERBB3 P21860 12/20 0.41
ERBB4 Q15303 12/20 0.41
TRPA1 O75762 3/20 0.40
KDR P35968 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
DRD1 P21728 1/20 0.38

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
SCHEMBL4282301 0.80 EGFR (0.41) EGFRTRPA1KDRDRD1
SCHEMBL16432196 0.75 TRPA1 (0.55) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL4771430 0.74 EGFR (0.37) EGFRKDR
SCHEMBL4771434 0.74 EGFR (0.37) EGFRKDR
SCHEMBL15960748 0.74 KDR (0.53) EGFRKDRDRD1
SCHEMBL3573516 0.74 AXL (0.45) DYRK1AEGFRKDR
SCHEMBL4283173 0.73 KDR (0.39) EGFRKDR
SCHEMBL4284980 0.73 KDR (0.56) KDR
SCHEMBL4281127 0.72 EGFR (0.40) EGFRTRPA1KDRDRD1
SCHEMBL4668514 0.72 KDR (0.74) EGFRTRPA1KDR

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 DYRK1A 1214/4885EGFR 20/4885ERBB2 8/4885

“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.