Sugi Predict

Sugi Predict / Compounds / SCHEMBL3014235

SCHEMBL3014235

SCHEMBL3014235

CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3CCN(c4ncccn4)CC3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.43
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CCNE2 O96020 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ JAK1 P23458 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 0.94 IGF1R (0.42) IGF1RCDK5CDK5R1MCHR1WNT1
SCHEMBL3008575 0.94 IGF1R (0.42) IGF1RCDK5CDK5R1MEN1KMT2A
SCHEMBL3006348 0.94 IGF1R (0.42) IGF1RCDK5CDK5R1CDK2NPSR1
SCHEMBL3005683 0.93 IGF1R (0.41) IGF1RCDK5CDK5R1CDK2KARS1
SCHEMBL3016658 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1CDK2CCNE2
SCHEMBL3000120 0.93 IGF1R (0.42) IGF1RCDK5CDK5R1MCHR1KARS1
SCHEMBL3009598 0.93 IGF1R (0.41) IGF1RTSHRMEN1KMT2A
SCHEMBL3019559 0.92 IGF1R (0.41) IGF1RCDK5CDK5R1CDK2CCNE2
SCHEMBL2999829 0.92 IGF1R (0.40) IGF1RCDK5CDK5R1CDK2CCNE2
SCHEMBL3011915 0.92 IGF1R (0.40) IGF1RCDK5CDK5R1MCHR1WNT1

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 688/4885CDK5 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.