SCHEMBL3013967

SCHEMBL3013967

C[C@@H]1CN(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3C[C@H](F)C[C@H]3C(=O)Nc3cnccn3)n2)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.42
GSK3B P49841 2/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.33
KARS1 Q15046 2/20 0.32
MAP3K12 Q12852 2/20 0.32
DYRK1A Q13627 1/20 0.32
PIK3CA P42336 1/20 0.31
WNT1 P04628 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MTOR P42345 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
SCHEMBL3010556 0.90 IGF1R (0.43) IGF1RGSK3BAURKAKARS1DYRK1A
SCHEMBL3008568 0.90 IGF1R (0.42) IGF1RGSK3BAURKAMAP3K12DYRK1A
SCHEMBL3011817 0.88 IGF1R (0.45) IGF1RGSK3BMAPTKARS1DYRK1A
SCHEMBL3010086 0.88 IGF1R (0.41) IGF1RGSK3BAURKAKARS1MAP3K12
SCHEMBL11967762 0.86 IGF1R (0.41) IGF1R
SCHEMBL11967765 0.86 IGF1R (0.41) IGF1R
SCHEMBL11967751 0.85 IGF1R (0.41) IGF1RGSK3BMAP3K12DYRK1A
SCHEMBL3000429 0.85 IGF1R (0.41) IGF1RGSK3BMAP3K12DYRK1A
SCHEMBL3006720 0.85 IGF1R (0.40) IGF1RGSK3BDYRK1AWNT1PDE10A
SCHEMBL11967763 0.85 IGF1R (0.41) IGF1RGSK3BAURKAKARS1DYRK1A

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 7 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

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 406/4885MAPT 2587/4885

“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.