SCHEMBL2999829

SCHEMBL2999829

CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3CCCN(C)CC3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.40
AURKA O14965 2/20 0.36
RIPK1 Q13546 2/20 0.36
AURKB Q96GD4 2/20 0.36
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NTRK1 P04629 1/20 0.32
ALK Q9UM73 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
AIMP2 Q13155 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 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
SCHEMBL3005768 0.97 IGF1R (0.42) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3006348 0.94 IGF1R (0.42) IGF1RAURKARIPK1AURKBDYRK1A
SCHEMBL3014235 0.92 IGF1R (0.43) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3008575 0.92 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10ACDK2
SCHEMBL3010086 0.91 IGF1R (0.41) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3011915 0.91 IGF1R (0.40) IGF1RGSK3BDYRK1ACDK5CDK5R1
SCHEMBL13207672 0.91 IGF1R (0.41) IGF1RGSK3BDYRK1ACDK5CDK5R1
SCHEMBL3005683 0.91 IGF1R (0.41) IGF1RCDK5CDK5R1ALKCDK2
SCHEMBL3016658 0.91 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10AALK
SCHEMBL3000120 0.91 IGF1R (0.42) IGF1RAURKARIPK1GSK3BDYRK1A

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 688/4885AURKA 115/4885RIPK1 659/4885

“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.