SCHEMBL3000629

SCHEMBL3000629

COc1ccc(N2CCN(c3nc(Nc4cc(C5CC5)[nH]n4)nc(N4C[C@@H](OC)C[C@H]4C(=O)Nc4cnccn4)n3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.50
HPGDS O60760 1/20 0.41
CDK2 P24941 6/20 0.41
CCNA2 P20248 4/20 0.41
CCNA1 P78396 4/20 0.41
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39

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
SCHEMBL3000275 0.94 IGF1R (0.52) IGF1RCDK2CCNA2CCNA1CCNE2
SCHEMBL2996164 0.94 IGF1R (0.52) IGF1RCDK2CCNA2CCNA1CCNE2
SCHEMBL3011423 0.91 IGF1R (0.52) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL3013423 0.90 IGF1R (0.53) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL3013720 0.89 IGF1R (0.52) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL3004263 0.89 IGF1R (0.58) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL3013922 0.89 IGF1R (0.52) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL11967709 0.88 IGF1R (0.52) IGF1RCDK2CCNE2CCNE1
SCHEMBL3011992 0.88 IGF1R (0.51) IGF1RHPGDSCDK2CCNE2CCNE1
SCHEMBL3016642 0.88 IGF1R (0.49) IGF1RCDK2CCNE2CCNE1

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 688/4885HPGDS 2185/4885CDK2 108/4885

“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.