SCHEMBL1722352

SCHEMBL1722352

Cc1cc(Nc2nc(N3CCNCC3)nc3cccn23)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.58
PAK4 O96013 2/20 0.55
PLK4 O00444 1/20 0.55
IGF1R P08069 2/20 0.42
AURKA O14965 2/20 0.41
ROCK2 O75116 1/20 0.40
PAK1 Q13153 2/20 0.40
RIPK1 Q13546 1/20 0.40
NTRK1 P04629 1/20 0.40
SRC P12931 1/20 0.39

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
SCHEMBL1726771 0.85 SPAST (0.47) JAK2PAK4PLK4AURKAROCK2
SCHEMBL1722967 0.84 JAK2 (0.42) JAK2PAK4PLK4IGF1RROCK2
SCHEMBL3922274 0.80 RET (0.41) JAK2PAK4PLK4IGF1RAURKA
SCHEMBL1268774 0.79 PAK4 (0.48) JAK2PAK4PLK4IGF1RAURKA
SCHEMBL3926826 0.78 RET (0.40) JAK2PAK4PLK4IGF1RAURKA
SCHEMBL3924185 0.78 JAK2 (0.37) JAK2PAK4PLK4AURKAPAK1
SCHEMBL4213948 0.78 JAK2 (0.37) JAK2PAK4PLK4AURKAPAK1
SCHEMBL3929547 0.77 PAK1 (0.37) JAK2PAK4PLK4IGF1RAURKA
SCHEMBL916719 0.76 POLB (0.36) JAK2PAK4PLK4IGF1RROCK2
SCHEMBL2924820 0.75 AURKA (0.54) PAK4PLK4AURKASRC

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-2344504-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-04 EP disclosed
US-8445676-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2344504-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-07-20 EP disclosed
WO-2010042684-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO 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-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, CSNK2A1, CSNK2A2 JAK2 1/4885PAK4 733/4885PLK4 240/4885

“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.