SCHEMBL3932205

SCHEMBL3932205

N[C@@H]1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)c3cccn3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.49
JAK2 O60674 8/20 0.45
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44

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
SCHEMBL3998200 1.00 IGF1R (0.49) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3924884 0.94 JAK2 (0.48) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3924843 0.91 JAK2 (0.47) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3924877 0.89 JAK2 (0.45) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3926086 0.87 JAK2 (0.51) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3926827 0.86 JAK2 (0.50) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3925640 0.85 JAK2 (0.62) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL5108721 0.85 JAK2 (0.49) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3934599 0.85 JAK2 (0.49) IGF1RJAK2CCNE2CCNE1CDK2
SCHEMBL3926908 0.85 JAK2 (0.48) IGF1RJAK2CCNE2CCNE1CDK2

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-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 IGF1R 556/4885JAK2 1/4885CCNE2 1298/4885

“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.