SCHEMBL3013976

SCHEMBL3013976

COCCN1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3C[C@@H](O)C[C@H]3C(=O)Nc3cnccn3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.47
GSK3B P49841 6/20 0.36
WNT1 P04628 3/20 0.36
DYRK1A Q13627 2/20 0.36
SYK P43405 1/20 0.34
BRAF P15056 2/20 0.34
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MAP4K1 Q92918 1/20 0.33
ACHE P22303 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
SCHEMBL3006720 0.93 IGF1R (0.40) IGF1RGSK3BWNT1DYRK1ASYK
SCHEMBL3000623 0.93 IGF1R (0.40) IGF1RGSK3BWNT1DYRK1ASYK
SCHEMBL3004578 0.91 IGF1R (0.51) IGF1RGSK3BDYRK1APDE10A
SCHEMBL3015271 0.88 IGF1R (0.46) IGF1R
SCHEMBL3004806 0.87 GSK3B (0.36) IGF1RGSK3BWNT1DYRK1ASYK
SCHEMBL11967758 0.87 GSK3B (0.36) IGF1RGSK3BWNT1DYRK1ASYK
SCHEMBL2996063 0.87 IGF1R (0.51) IGF1RGSK3BDYRK1A
SCHEMBL11968007 0.87 GSK3B (0.34) IGF1RGSK3BWNT1DYRK1ASYK
SCHEMBL3011915 0.87 IGF1R (0.40) IGF1RGSK3BWNT1DYRK1A
SCHEMBL13207873 0.87 GSK3B (0.34) IGF1RGSK3BWNT1DYRK1ASYK

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 688/4885GSK3B 406/4885WNT1 1486/4885

“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.