SCHEMBL3934541

SCHEMBL3934541

O=C(O)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.41
ACVR1 Q04771 4/20 0.40
MAP4K1 Q92918 1/20 0.38
HDAC1 Q13547 1/20 0.37
KDM5A P29375 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
MDM2 Q00987 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 2/20 0.32
PDE7B Q9NP56 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL3932772 0.82 NUDT1 (0.43) NUDT1ACVR1MAP4K1HDAC1PRMT5
SCHEMBL3921893 0.81 NUDT1 (0.53) NUDT1ACVR1ALDH1A1MAPT
SCHEMBL3927139 0.81 NUDT1 (0.53) NUDT1ACVR1ALDH1A1MAPT
SCHEMBL13841101 0.81 ACVR1 (0.60) ACVR1
SCHEMBL3921271 0.81 NUDT1 (0.55) NUDT1ACVR1ALDH1A1MAPT
SCHEMBL3921417 0.81 NUDT1 (0.41) NUDT1ACVR1KDM5A
SCHEMBL3931573 0.81 NUDT1 (0.41) NUDT1ACVR1MAP4K1KDM5A
SCHEMBL3921001 0.80 ACVR1 (0.42) NUDT1ACVR1PIK3C3ALDH1A1GAA
SCHEMBL3923453 0.80 NUDT1 (0.41) NUDT1ACVR1
Hydrochloric Acid SCHEMBL3926115 0.80 NUDT1 (0.52) NUDT1ACVR1ALDH1A1MAPT

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 4271/4885ACVR1 1835/4885MAP4K1 120/4885

“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.