SCHEMBL14949776

SCHEMBL14949776

O=C(c1ccccc1)N1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
CDK2 P24941 6/20 0.45
CCNA2 P20248 2/20 0.45
CCNA1 P78396 2/20 0.45
PAK4 O96013 2/20 0.45
PAK1 Q13153 2/20 0.45
IGF1R P08069 7/20 0.44
CCNE2 O96020 4/20 0.42
CCNE1 P24864 4/20 0.42

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
SCHEMBL1710850 0.80 JAK2 (0.49) JAK2
SCHEMBL1268963 0.80 IGF1R (0.56) CDK2IGF1RCCNE2CCNE1
SCHEMBL1270104 0.80 IGF1R (0.56) CDK2IGF1RCCNE2CCNE1
SCHEMBL13430135 0.79 JAK2 (0.77) JAK2CDK2IGF1RCCNE2CCNE1
SCHEMBL1269162 0.78 IGF1R (0.69) CDK2IGF1RCCNE2CCNE1
SCHEMBL1269907 0.78 IGF1R (0.69) CDK2IGF1RCCNE2CCNE1
SCHEMBL1269884 0.78 IGF1R (0.53) CDK2CCNA2CCNA1IGF1RCCNE2
SCHEMBL1269525 0.78 IGF1R (0.53) CDK2CCNA2CCNA1IGF1RCCNE2
SCHEMBL1268925 0.78 IGF1R (0.45) CDK2CCNA2CCNA1IGF1RCCNE2
SCHEMBL1269100 0.78 IGF1R (0.66) CDK2IGF1RCCNE2CCNE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344504-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-04 EP disclosed
US-8445676-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, CSNK2A1, CSNK2A2 JAK2 1/4885CDK2 5/4885CCNA2 141/4885

“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.