Sugi Predict

Sugi Predict / Compounds / SCHEMBL13696290

SCHEMBL13696290

SCHEMBL13696290

CO[C@@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4(C)CC4)[nH]n3)c3cccn3n2)C1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.84
▸ CCNE2 O96020 5/20 0.53
▸ CCNE1 P24864 5/20 0.53
▸ CDK2 P24941 5/20 0.53
▸ JAK2 O60674 1/20 0.48

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
SCHEMBL13696299 1.00 IGF1R (0.84) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12337773 0.91 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12338132 0.91 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12337771 0.91 IGF1R (0.86) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12337929 0.89 IGF1R (0.82) IGF1RCCNE2CCNE1CDK2
SCHEMBL13696284 0.89 IGF1R (0.82) IGF1RCCNE2CCNE1CDK2
SCHEMBL13869852 0.88 IGF1R (0.79) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12337962 0.87 IGF1R (0.63) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL13696298 0.87 IGF1R (0.80) IGF1RCCNE2CCNE1CDK2JAK2
SCHEMBL12314470 0.87 IGF1R (0.62) IGF1RCCNE2CCNE1CDK2JAK2

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-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-24 — — US disclosed
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-24 — — US disclosed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — 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 (2 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-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885

“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.