SCHEMBL2996063

SCHEMBL2996063

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.51
PTGS2 P35354 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 3/20 0.36
DYRK1A Q13627 2/20 0.36
MAP3K12 Q12852 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 1/20 0.35
RIPK1 Q13546 1/20 0.35
AURKB Q96GD4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL3008568 0.92 IGF1R (0.42) IGF1RPTGS2TSHRSMN1; SMN2GSK3B
SCHEMBL3004578 0.91 IGF1R (0.51) IGF1RGSK3BDYRK1AAURKARIPK1
SCHEMBL13226018 0.91 IGF1R (0.50) IGF1RGSK3BDYRK1A
SCHEMBL3009598 0.90 IGF1R (0.41) IGF1RPTGS2TSHRSMN1; SMN2GSK3B
SCHEMBL13226220 0.90 IGF1R (0.49) IGF1R
SCHEMBL3000073 0.88 IGF1R (0.54) IGF1RGSK3BDYRK1A
SCHEMBL13226174 0.88 IGF1R (0.54) IGF1RGSK3BDYRK1A
SCHEMBL3015382 0.88 IGF1R (0.40) IGF1RPTGS2TSHRSMN1; SMN2GSK3B
SCHEMBL3013976 0.87 IGF1R (0.47) IGF1RGSK3BDYRK1A
SCHEMBL3008248 0.86 GSK3B (0.38) IGF1RPTGS2TSHRSMN1; SMN2GSK3B

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 9 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
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 688/4885PTGS2 2569/4885TSHR 1187/4885

“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.