Sugi Predict

Sugi Predict / Compounds / SCHEMBL3005666

SCHEMBL3005666

SCHEMBL3005666

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.44
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ TYK2 P29597 1/20 0.33
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ KARS1 Q15046 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL3684352 1.00 IGF1R (0.44) IGF1RCDK5CDK5R1PDE10ATYK2
SCHEMBL3008575 0.91 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10ATYK2
SCHEMBL3006348 0.90 IGF1R (0.42) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3000073 0.89 IGF1R (0.54) IGF1RCDK5CDK5R1PDE10ACCNE2
SCHEMBL2999266 0.89 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10ACCNE2
SCHEMBL3014235 0.89 IGF1R (0.43) IGF1RCDK5CDK5R1TYK2CCNE2
SCHEMBL3005768 0.89 IGF1R (0.42) IGF1RCDK5CDK5R1PDE10AWNT1
SCHEMBL3016960 0.89 IGF1R (0.43) IGF1RCDK5CDK5R1CCNE2CCNE1
SCHEMBL3000120 0.89 IGF1R (0.42) IGF1RCDK5CDK5R1KARS1
SCHEMBL13207659 0.89 IGF1R (0.41) IGF1RCDK5CDK5R1PDE10ATYK2

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 10 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
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
EP-2175933-A1 TRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-04-21 — — EP disclosed
WO-2009015254-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 — — WO 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.