SCHEMBL3922752

SCHEMBL3922752

O=C(NC1CC1)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cc(-c4ccc(Cl)cc4)cn23)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.48
MAPK8 P45983 1/20 0.36
ACVR1 Q04771 4/20 0.36
HDAC1 Q13547 1/20 0.36
JAK2 O60674 1/20 0.36
USP30 Q70CQ3 2/20 0.35
TACR3 P29371 1/20 0.35
PDE4B Q07343 3/20 0.34
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
MAP4K1 Q92918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 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
SCHEMBL3920643 0.94 NUDT1 (0.50) NUDT1MAPK8ACVR1HDAC1JAK2
SCHEMBL3935022 0.91 NUDT1 (0.46) NUDT1MAPK8ACVR1JAK2MAP4K1
SCHEMBL3922898 0.88 NUDT1 (0.47) NUDT1MAPK8ACVR1JAK2USP30
SCHEMBL3931997 0.88 NUDT1 (0.51) NUDT1MAPK8ACVR1JAK2USP30
SCHEMBL3920013 0.87 NUDT1 (0.46) NUDT1MAPK8ACVR1MAP4K1CNR1
SCHEMBL3921271 0.85 NUDT1 (0.55) NUDT1MAPK8ACVR1JAK2USP30
SCHEMBL3927233 0.84 NUDT1 (0.45) NUDT1MAPK8ACVR1JAK2MAP4K1
SCHEMBL3927139 0.84 NUDT1 (0.53) NUDT1MAPK8ACVR1JAK2USP30
SCHEMBL3921893 0.84 NUDT1 (0.53) NUDT1MAPK8ACVR1JAK2USP30
SCHEMBL4001174 0.84 NUDT1 (0.43) NUDT1MAPK8ACVR1HDAC1JAK2

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 4271/4885MAPK8 594/4885ACVR1 1835/4885

“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.