SCHEMBL3923453

SCHEMBL3923453

O=C(c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.41
ACVR1 Q04771 4/20 0.39
TACR3 P29371 1/20 0.36
IGF1R P08069 8/20 0.35
SYK P43405 4/20 0.34
CCNE2 O96020 3/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
ALPL P05186 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
SCHEMBL3921417 0.99 NUDT1 (0.41) NUDT1ACVR1TACR3IGF1RSYK
SCHEMBL3931573 0.98 NUDT1 (0.41) NUDT1ACVR1TACR3IGF1RCCNE2
SCHEMBL3922903 0.94 NUDT1 (0.40) NUDT1ACVR1TACR3IGF1RSYK
SCHEMBL3922096 0.92 NUDT1 (0.40) NUDT1ACVR1TACR3IGF1RCCNE2
SCHEMBL3923433 0.92 NUDT1 (0.39) NUDT1ACVR1TACR3IGF1RSYK
SCHEMBL3922465 0.91 NUDT1 (0.39) NUDT1ACVR1IGF1R
SCHEMBL3927139 0.88 NUDT1 (0.53) NUDT1ACVR1IGF1RCCNE2CCNE1
SCHEMBL3921893 0.88 NUDT1 (0.53) NUDT1ACVR1IGF1RCCNE2CCNE1
SCHEMBL3921271 0.88 NUDT1 (0.55) NUDT1ACVR1IGF1RCCNE2CCNE1
Hydrochloric Acid SCHEMBL3926115 0.88 NUDT1 (0.52) NUDT1ACVR1IGF1RCCNE2CCNE1

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 1835/4885TACR3 1051/4885

“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.