SCHEMBL916719

SCHEMBL916719

c1cc2nc(N3CCNCC3)nc(Nc3cc(C4CC4)n[nH]3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
JAK2 O60674 1/20 0.35
MAP3K12 Q12852 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
IDH2 P48735 1/20 0.33
IGF1R P08069 1/20 0.33
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 3/20 0.32
HTR2A P28223 1/20 0.32
ATM Q13315 1/20 0.32
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
PIK3CA P42336 1/20 0.32
ROCK1 Q13464 3/20 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
SCHEMBL3923615 0.89 PAK1 (0.40) PAK4IDH2
SCHEMBL3932218 0.86 DKK1 (0.36) PAK4
SCHEMBL1722967 0.86 JAK2 (0.42) POLBKMT2AJAK2ALDH1A1PLK4
SCHEMBL916585 0.86
SCHEMBL3928070 0.84 ROCK2 (0.37) KMT2APAK4ROCK2
SCHEMBL3923740 0.83 SMO (0.40)
SCHEMBL3926065 0.83 PIK3CB (0.36) POLBALDH1A1
SCHEMBL915798 0.82 DRD2 (0.36) ROCK2
SCHEMBL3921414 0.81 CCNE1 (0.32) POLBKMT2AIDH2HTR2A
SCHEMBL3926786 0.81 CKS1B (0.39) POLBKMT2AROCK2ROCK1

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
US-8212031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 US disclosed
CN-102015719-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-13 CN disclosed
US-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2262806-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-22 EP disclosed
WO-2009111531-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-11 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-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, MAP3K15, MAP4K2 POLB 2193/4885KMT2A 1005/4885JAK2 261/4885

“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.