SCHEMBL1613993

SCHEMBL1613993

Nc1ncc(Cl)c(-c2cnc3ccc(Br)cn23)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.60
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
FLT3 P36888 4/20 0.40
PIK3CG P48736 1/20 0.36
IGF1R P08069 5/20 0.34
CLK1 P49759 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
EPHB3 P54753 1/20 0.33
ADORA2A P29274 1/20 0.33
NRAS P01111 1/20 0.33
HDAC3 O15379 2/20 0.32
CDK2 P24941 2/20 0.32
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32

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
SCHEMBL22228874 0.86 MAP3K14 (0.49) MAP3K14PIK3CAMTORFLT3IGF1R
SCHEMBL22252912 0.81 MAP3K14 (0.44) MAP3K14PIK3CAMTORFLT3IGF1R
SCHEMBL21027486 0.78 PKM (0.51) MAP3K14FLT3IGF1REPHB3HDAC3
SCHEMBL12743972 0.76 MAP3K14 (0.46) MAP3K14FLT3IGF1REPHB3ADORA2A
SCHEMBL20455534 0.75 CDK9 (0.59) MAP3K14FLT3IGF1RCDK2CDK7
SCHEMBL20455533 0.75 CDK9 (0.59) MAP3K14FLT3IGF1RCDK2CDK7
SCHEMBL20455677 0.75 MAP3K14 (0.40) MAP3K14PIK3CAMTORFLT3IGF1R
SCHEMBL1614011 0.75 MAP3K14 (1.00) MAP3K14PIK3CAMTORFLT3PIK3CG
SCHEMBL22253185 0.74 MAP3K14 (0.39) MAP3K14PIK3CAMTORFLT3IGF1R
SCHEMBL20455839 0.74 TRIM24 (0.48) FLT3IGF1RCDK2CDK7CDK9

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 17/4885PIK3CA 334/4885MTOR 711/4885

“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.