SCHEMBL14331709

SCHEMBL14331709

C=C1C(=O)Nc2cccc(CNc3nc(Nc4ccc(C5CCNCC5)cc4OC)ncc3C(F)(F)F)c21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.58
▸ PTK2 Q05397 6/20 0.56
▸ FLT4 P35916 4/20 0.56
▸ ALK Q9UM73 3/20 0.52
▸ MET P08581 1/20 0.46

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
SCHEMBL10205103 0.88 EGFR (0.59) EGFRPTK2FLT4ALKMET
SCHEMBL14331661 0.87 ALK (0.58) EGFRPTK2FLT4ALK
SCHEMBL10206118 0.81 EGFR (0.52) EGFRPTK2FLT4ALKMET
SCHEMBL10205879 0.80 EGFR (0.51) EGFRPTK2FLT4ALK
SCHEMBL10205074 0.80 PTK2 (0.55) EGFRPTK2FLT4ALK
SCHEMBL10206116 0.79 EGFR (0.48) EGFRPTK2FLT4ALK
SCHEMBL10206597 0.78 ALK (0.53) EGFRPTK2FLT4ALK
SCHEMBL26611783 0.78 EGFR (0.74) EGFRPTK2FLT4ALKMET
SCHEMBL10206144 0.77 EGFR (0.59) EGFRPTK2FLT4ALKMET
SCHEMBL10205524 0.77 EGFR (0.58) EGFRPTK2FLT4ALKMET

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-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 — — 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-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES MKI67, CCNI, CCNB1 EGFR 1397/4885PTK2 1524/4885FLT4 2572/4885

“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.

Send feedback