SCHEMBL3010556

SCHEMBL3010556

CN1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3C[C@H](F)C[C@H]3C(=O)Nc3cnccn3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.43
AURKA O14965 2/20 0.37
RIPK1 Q13546 2/20 0.37
AURKB Q96GD4 2/20 0.37
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
KARS1 Q15046 2/20 0.34
NTRK1 P04629 1/20 0.34
ALK Q9UM73 1/20 0.34
RET P07949 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL3010086 0.97 IGF1R (0.41) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3004578 0.93 IGF1R (0.51) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3008568 0.92 IGF1R (0.42) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3006720 0.92 IGF1R (0.40) IGF1RGSK3BDYRK1AALKPDE10A
SCHEMBL3005768 0.91 IGF1R (0.42) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3013967 0.90 IGF1R (0.42) IGF1RAURKAGSK3BDYRK1AKARS1
SCHEMBL3011817 0.89 IGF1R (0.45) IGF1RGSK3BDYRK1AKARS1PDE10A
SCHEMBL11967762 0.89 IGF1R (0.41) IGF1RAURKB
SCHEMBL11967765 0.89 IGF1R (0.41) IGF1RAURKB
SCHEMBL2999829 0.89 IGF1R (0.40) IGF1RAURKARIPK1AURKBGSK3B

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 8 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
WO-2009015254-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 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-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.