SCHEMBL3927233

SCHEMBL3927233

COc1ccncc1-c1cc2nc(N3CCCC3c3ccccn3)nc(Nc3cc(C(=O)NC4CC4)[nH]n3)n2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.45
MAP4K1 Q92918 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.34
ROCK2 O75116 1/20 0.34
ABL1 P00519 1/20 0.34
PDE5A O76074 3/20 0.34
TBK1 Q9UHD2 2/20 0.34
DCLK1 O15075 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK7 Q13164 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GSK3B P49841 1/20 0.33
TTK P33981 1/20 0.33
JAK2 O60674 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL3920013 0.94 NUDT1 (0.46) NUDT1MAP4K1SUV39H2ROCK2DCLK1
SCHEMBL15484270 0.88 NUDT1 (0.40) NUDT1ROCK2TTK
SCHEMBL3935022 0.88 NUDT1 (0.46) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL3922898 0.88 NUDT1 (0.47) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL3920643 0.87 NUDT1 (0.50) NUDT1JAK2ACVR1MAPK8
SCHEMBL3922752 0.84 NUDT1 (0.48) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL3931997 0.83 NUDT1 (0.51) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL4001174 0.83 NUDT1 (0.43) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL3928096 0.82 NUDT1 (0.47) NUDT1MAP4K1JAK2ACVR1MAPK8
SCHEMBL3921271 0.81 NUDT1 (0.55) NUDT1JAK2ACVR1MAPK8

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 4271/4885MAP4K1 120/4885SUV39H2 3296/4885

“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.