SCHEMBL3926953

SCHEMBL3926953

CC(C)NC(=O)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.43
ACVR1 Q04771 4/20 0.39
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
MAP4K1 Q92918 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM5A P29375 1/20 0.35
BRD4 O60885 1/20 0.35
IGF1R P08069 5/20 0.34
CCNE2 O96020 4/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
CNR2 P34972 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL3926962 0.94 NUDT1 (0.41) NUDT1ACVR1CCNE1CDK2MAP4K1
SCHEMBL15485367 0.94 NUDT1 (0.41) NUDT1ACVR1CCNE1CDK2MAP4K1
SCHEMBL3925554 0.93 NUDT1 (0.40) NUDT1ACVR1MAP4K1
SCHEMBL3935547 0.93 NUDT1 (0.40) NUDT1ACVR1MAP4K1
SCHEMBL3926845 0.93 NUDT1 (0.41) NUDT1ACVR1CCNE1CDK2MAP4K1
SCHEMBL15485274 0.92 NUDT1 (0.39) NUDT1ACVR1CCNE1CDK2MAP4K1
SCHEMBL3922255 0.91 NUDT1 (0.41) NUDT1ACVR1CCNE1CDK2MAP4K1
SCHEMBL3931611 0.90 NUDT1 (0.40) NUDT1ACVR1MAP4K1
SCHEMBL3932770 0.90 NUDT1 (0.40) NUDT1ACVR1MAP4K1
SCHEMBL3928621 0.90 NUDT1 (0.42) NUDT1ACVR1CCNE1CDK2MAP4K1

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 NUDT1 4271/4885ACVR1 1835/4885CCNE1 855/4885

“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.