SCHEMBL3008568

SCHEMBL3008568

O=C(Nc1cnccn1)[C@@H]1C[C@@H](F)CN1c1nc(Nc2cc(C3CC3)n[nH]2)nc(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.42
MAP3K12 Q12852 3/20 0.38
PTGS2 P35354 1/20 0.36
AURKA O14965 1/20 0.36
RIPK1 Q13546 1/20 0.36
AURKB Q96GD4 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2996063 0.92 IGF1R (0.51) IGF1RMAP3K12PTGS2AURKARIPK1
SCHEMBL3010556 0.92 IGF1R (0.43) IGF1RAURKARIPK1AURKBGSK3B
SCHEMBL3010086 0.90 IGF1R (0.41) IGF1RMAP3K12AURKARIPK1AURKB
SCHEMBL3009598 0.90 IGF1R (0.41) IGF1RMAP3K12PTGS2AURKARIPK1
SCHEMBL3013967 0.90 IGF1R (0.42) IGF1RMAP3K12AURKAGSK3BDYRK1A
SCHEMBL3011817 0.88 IGF1R (0.45) IGF1RGSK3BDYRK1AMEN1KMT2A
SCHEMBL11967762 0.88 IGF1R (0.41) IGF1RAURKB
SCHEMBL11967765 0.88 IGF1R (0.41) IGF1RAURKB
SCHEMBL11967799 0.88 IGF1R (0.39) IGF1RGSK3BDYRK1A
SCHEMBL3015382 0.87 IGF1R (0.40) IGF1RMAP3K12PTGS2AURKARIPK1

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 688/4885MAP3K12 23/4885PTGS2 2569/4885

“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.