SCHEMBL3016658

SCHEMBL3016658

COC(=O)N1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3C[C@@H](OC)C[C@H]3C(=O)Nc3cnccn3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.42
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
STK17A Q9UEE5 2/20 0.34
PDE10A Q9Y233 2/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KARS1 Q15046 2/20 0.32
MCHR1 Q99705 1/20 0.32
ALK Q9UM73 2/20 0.32
WNT1 P04628 1/20 0.31

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
SCHEMBL3005683 0.95 IGF1R (0.41) IGF1RCDK5CDK5R1CDK2KARS1
SCHEMBL3005768 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10AKARS1
SCHEMBL3014235 0.93 IGF1R (0.43) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3008575 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10ACDK2
SCHEMBL3006348 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3000120 0.92 IGF1R (0.42) IGF1RCDK5CDK5R1KARS1MCHR1
SCHEMBL3009598 0.91 IGF1R (0.41) IGF1R
SCHEMBL3019559 0.91 IGF1R (0.41) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3011915 0.91 IGF1R (0.40) IGF1RCDK5CDK5R1STK17AMCHR1
SCHEMBL2999829 0.91 IGF1R (0.40) IGF1RCDK5CDK5R1PDE10ACCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415340-B2 Triazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415340-B2 Triazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415340-B2 Triazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
EP-2175933-B1 TRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-22 EP disclosed
US-20100197654-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197654-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197654-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 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-20100197654-A1 TRIAZINE KINASE INHIBITORS ABL1, STK25, FLT3 IGF1R 688/4885CDK5 214/4885CDK5R1 384/4885

“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.