SCHEMBL1613407

SCHEMBL1613407

Nc1ncc(Cl)c(Nc2cc(I)ccc2O[C@H]2CCOC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.40
KDR P35968 2/20 0.40
EPHA2 P29317 1/20 0.40
EPHB4 P54760 1/20 0.40
CHEK1 O14757 1/20 0.39
EGFR P00533 10/20 0.39
ATR Q13535 2/20 0.38
SRC P12931 2/20 0.38
BCL6 P41182 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALK Q9UM73 2/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
INSR P06213 1/20 0.36
ITK Q08881 1/20 0.36

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
SCHEMBL12713954 1.00 ERBB2 (0.40) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL1613257 1.00 ERBB2 (0.40) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL1612854 0.94 SRC (0.43) ERBB2KDRCHEK1EGFRATR
SCHEMBL1611632 0.80 BCL6 (0.47) BCL6ALKINSR
SCHEMBL1612972 0.79 SRC (0.45) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL1825928 0.78 LRRK2 (0.45) CHEK1ATRSRCALKINSR
SCHEMBL12743916 0.78 ERBB2 (0.35) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL12743544 0.78 MAP3K14 (0.46) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL12743907 0.78 MAP3K14 (0.46) ERBB2KDREPHA2EPHB4CHEK1
SCHEMBL12743228 0.77 SRC (0.39) KDRCHEK1EGFRSRCBCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ERBB2 336/4885KDR 1011/4885EPHA2 2466/4885

“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.