Sugi Predict

Sugi Predict / Compounds / SCHEMBL3006348

SCHEMBL3006348

SCHEMBL3006348

CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3CCCCC3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.42
▸ PTGS2 P35354 1/20 0.35
▸ MAP3K12 Q12852 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL3008575 0.95 IGF1R (0.42) IGF1RCDK5CDK5R1WNT1CDK2
SCHEMBL2999829 0.94 IGF1R (0.40) IGF1RCDK5CDK5R1DYRK1AAURKA
SCHEMBL3000120 0.94 IGF1R (0.42) IGF1RCDK5CDK5R1DYRK1AAURKA
SCHEMBL3014235 0.94 IGF1R (0.43) IGF1RCDK5CDK5R1WNT1CCNE2
SCHEMBL3005768 0.94 IGF1R (0.42) IGF1RCDK5CDK5R1DYRK1AAURKA
SCHEMBL3015382 0.93 IGF1R (0.40) IGF1RPTGS2MAP3K12DYRK1AAURKA
SCHEMBL3009598 0.93 IGF1R (0.41) IGF1RPTGS2MAP3K12DYRK1AAURKA
SCHEMBL3016658 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1WNT1CCNE2
SCHEMBL13207672 0.93 IGF1R (0.41) IGF1RCDK5CDK5R1DYRK1AWNT1
SCHEMBL3005683 0.93 IGF1R (0.41) IGF1RMAP3K12CDK5CDK5R1CDK2

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 688/4885PTGS2 2569/4885MAP3K12 23/4885

“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.