SCHEMBL3925617

SCHEMBL3925617

CC(C)(C)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.41
NUDT1 P36639 2/20 0.38
SPAST Q9UBP0 1/20 0.38
IGF1R P08069 6/20 0.36
PIK3C3 Q8NEB9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CXCR4 P61073 2/20 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
SCHEMBL3921001 0.89 ACVR1 (0.42) ACVR1NUDT1IGF1RPIK3C3ALDH1A1
SCHEMBL3928621 0.86 NUDT1 (0.42) ACVR1NUDT1IGF1RPIK3C3
SCHEMBL3926953 0.83 NUDT1 (0.43) ACVR1NUDT1IGF1RPIK3C3
SCHEMBL3921893 0.82 NUDT1 (0.53) ACVR1NUDT1IGF1RALDH1A1MAPT
SCHEMBL3921271 0.82 NUDT1 (0.55) ACVR1NUDT1IGF1RALDH1A1MAPT
SCHEMBL3931573 0.82 NUDT1 (0.41) ACVR1NUDT1IGF1R
SCHEMBL3927139 0.82 NUDT1 (0.53) ACVR1NUDT1IGF1RALDH1A1MAPT
SCHEMBL3921417 0.82 NUDT1 (0.41) ACVR1NUDT1IGF1R
SCHEMBL1270073 0.82 IGF1R (0.41) SPASTIGF1R
SCHEMBL3922920 0.81 NUDT1 (0.40) ACVR1NUDT1IGF1R

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 ACVR1 1835/4885NUDT1 4271/4885SPAST 4197/4885

“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.