SCHEMBL3933878

SCHEMBL3933878

NC(=O)CCC(=O)NC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)c3cccn3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.48
IGF1R P08069 12/20 0.48
CCNE2 O96020 3/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 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
SCHEMBL3931683 0.91 JAK2 (0.48) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3924306 0.91 JAK2 (0.47) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3925259 0.90 JAK2 (0.51) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3922475 0.90 JAK2 (0.48) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3921412 0.89 JAK2 (0.49) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3921433 0.89 JAK2 (0.47) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3931667 0.89 JAK2 (0.54) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3932903 0.89 JAK2 (0.47) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3935542 0.89 JAK2 (0.59) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL3922861 0.89 JAK2 (0.46) JAK2IGF1RCCNE2CCNE1CDK2

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 JAK2 1/4885IGF1R 556/4885CCNE2 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.