SCHEMBL3928096

SCHEMBL3928096

CCOC(=O)c1cc2nc(N3CCCC3c3ccccn3)nc(Nc3cc(C(=O)NC4CC4)[nH]n3)n2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.47
IGF1R P08069 1/20 0.39
NPEPPS P55786 2/20 0.37
JAK2 O60674 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GCK P35557 1/20 0.36
MAP4K1 Q92918 1/20 0.35
ACVR1 Q04771 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
USP30 Q70CQ3 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK14 Q16539 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
SCHEMBL3931997 0.86 NUDT1 (0.51) NUDT1JAK2KDM4ESMN1; SMN2MAP4K1
SCHEMBL3920643 0.86 NUDT1 (0.50) NUDT1JAK2KDM4ESMN1; SMN2ACVR1
SCHEMBL3922898 0.85 NUDT1 (0.47) NUDT1JAK2MAP4K1ACVR1ALDH1A1
SCHEMBL3920013 0.84 NUDT1 (0.46) NUDT1MAP4K1ACVR1MAPK8
SCHEMBL3935022 0.84 NUDT1 (0.46) NUDT1JAK2MAP4K1ACVR1ALDH1A1
SCHEMBL3921271 0.84 NUDT1 (0.55) NUDT1IGF1RJAK2KDM4EHSD17B10
SCHEMBL3922752 0.83 NUDT1 (0.48) NUDT1JAK2MAP4K1ACVR1ALDH1A1
SCHEMBL3921893 0.83 NUDT1 (0.53) NUDT1IGF1RJAK2KDM4EHSD17B10
SCHEMBL3927139 0.83 NUDT1 (0.53) NUDT1IGF1RJAK2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3926115 0.82 NUDT1 (0.52) NUDT1IGF1RJAK2KDM4EHSD17B10

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 4271/4885IGF1R 556/4885NPEPPS 2934/4885

“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.