SCHEMBL1613145

SCHEMBL1613145

COCCOCCOc1cnc(N)nc1-c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.64
PIKFYVE Q9Y2I7 1/20 0.64
CLK1 P49759 13/20 0.62
CDK5 Q00535 8/20 0.62
CDK5R1 Q15078 8/20 0.62
PDPK1 O15530 1/20 0.48
CCNB2 O95067 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
CCNB1 P14635 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK1G2 P78368 1/20 0.48

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
SCHEMBL1613203 0.97 MAP3K14 (0.67) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL1612792 0.85 CLK1 (0.69) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL1613156 0.83 CLK1 (0.53) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL12742667 0.82 PIKFYVE (0.72) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL1612474 0.80 EGFR (0.55) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL1614224 0.79 MAP3K14 (0.67) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL12743781 0.79 MAP3K14 (0.60) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL12742758 0.79 PIKFYVE (0.68) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL12743305 0.79 MAP3K14 (0.60) MAP3K14PIKFYVECLK1CDK5CDK5R1
SCHEMBL1612970 0.79 MAP3K14 (0.53) MAP3K14PIKFYVECLK1CDK5CDK5R1

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 6 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
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 MAP3K14 17/4885PIKFYVE 126/4885CLK1 389/4885

“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.