SCHEMBL4122543

SCHEMBL4122543

COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(C#N)cnc2cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.76
EGFR P00533 7/20 0.76
GAK O14976 1/20 0.76
ERBB2 P04626 5/20 0.60
MAP2K1 Q02750 2/20 0.58
ABL1 P00519 1/20 0.58
ABL2 P42684 1/20 0.58

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
SCHEMBL3978235 0.83 SRC (0.77) SRCABL1ABL2
SCHEMBL6185084 0.81 SRC (0.83) SRCEGFRGAKERBB2MAP2K1
SCHEMBL5258067 0.80 SRC (0.48) SRCEGFRERBB2ABL1
SCHEMBL6184514 0.79 SRC (1.00) SRCEGFRGAKERBB2ABL1
SCHEMBL5251972 0.78 SRC (0.80) SRCEGFRGAKERBB2ABL1
SCHEMBL27437241 0.77 MAP2K1 (0.74) SRCEGFRGAKERBB2MAP2K1
SCHEMBL4088207 0.76 IGF1R (0.82) EGFRERBB2MAP2K1
SCHEMBL6380423 0.76 EGFR (1.00) SRCEGFRGAKERBB2MAP2K1
SCHEMBL28756490 0.76 MAP2K1 (0.95) SRCEGFRGAKERBB2MAP2K1
SCHEMBL6380567 0.76 EGFR (0.79) SRCEGFRERBB2MAP2K1

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-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 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-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION PARK7, UQCRB, PRMT7 SRC 3605/4885EGFR 2351/4885GAK 1607/4885

“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.