SCHEMBL1612972

SCHEMBL1612972

Clc1cncnc1Nc1cc(I)ccc1OC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.45
EGFR P00533 6/20 0.42
KDR P35968 5/20 0.40
ERBB2 P04626 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
CHEK1 O14757 1/20 0.39
MKNK2 Q9HBH9 2/20 0.38
ATR Q13535 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
EPHA2 P29317 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL1612854 0.84 SRC (0.43) SRCEGFRKDRERBB2CHEK1
SCHEMBL12713954 0.79 ERBB2 (0.40) SRCEGFRKDRERBB2CHEK1
SCHEMBL1613407 0.79 ERBB2 (0.40) SRCEGFRKDRERBB2CHEK1
SCHEMBL1613257 0.79 ERBB2 (0.40) SRCEGFRKDRERBB2CHEK1
SCHEMBL1825928 0.78 LRRK2 (0.45) SRCCHEK1ATR
SCHEMBL12743240 0.76 MAP3K14 (0.52) SRCEGFRKDRIRAK4
SCHEMBL1613489 0.73 KDR (0.42) SRCEGFRKDRIRAK4ATR
SCHEMBL1613689 0.73 MAP3K14 (0.72)
SCHEMBL1614063 0.71 LRRK2 (0.40) EGFRKDRERBB2CHEK1ATR
SCHEMBL1614061 0.71 LRRK2 (0.40) EGFRKDRERBB2CHEK1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 SRC 230/4885EGFR 1214/4885KDR 1011/4885

“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.