SCHEMBL3921271

SCHEMBL3921271

O=C(NC1CC1)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.55
JAK2 O60674 1/20 0.42
ACVR1 Q04771 4/20 0.41
USP30 Q70CQ3 2/20 0.40
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IGF1R P08069 5/20 0.36
CCNE2 O96020 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
RAB9A P51151 1/20 0.36
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35

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
SCHEMBL3921893 0.98 NUDT1 (0.53) NUDT1JAK2ACVR1USP30MAPK8
SCHEMBL3927139 0.98 NUDT1 (0.53) NUDT1JAK2ACVR1USP30MAPK8
Hydrochloric Acid SCHEMBL3926115 0.98 NUDT1 (0.52) NUDT1JAK2ACVR1USP30MAPK8
SCHEMBL3926811 0.97 NUDT1 (0.52) NUDT1JAK2ACVR1USP30MAPK8
SCHEMBL3922452 0.95 NUDT1 (0.49) NUDT1JAK2ACVR1USP30KDM4E
SCHEMBL3932781 0.93 NUDT1 (0.46) NUDT1JAK2USP30MAPK8KDM4E
SCHEMBL3922730 0.91 NUDT1 (0.45) NUDT1JAK2ACVR1USP30
SCHEMBL3924285 0.90 JAK2 (0.44) NUDT1JAK2ACVR1MAPK8KDM4E
SCHEMBL3922760 0.90 NUDT1 (0.43) NUDT1JAK2ACVR1USP30IGF1R
SCHEMBL3926953 0.90 NUDT1 (0.43) 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 5 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
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO 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 4271/4885JAK2 1/4885ACVR1 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.