SCHEMBL1722967

SCHEMBL1722967

Cc1cc(Nc2nc(N3CCNCC3)nc3cccn23)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
ROCK2 O75116 4/20 0.41
PLK4 O00444 1/20 0.40
PAK4 O96013 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
SRC P12931 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
IDH2 P48735 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 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
SCHEMBL916719 0.86 POLB (0.36) JAK2ROCK2PLK4PAK4POLB
SCHEMBL15485333 0.85 ROCK2 (0.37) ROCK2KMT2AALDH1A1KDM4E
SCHEMBL1722352 0.84 JAK2 (0.58) JAK2ROCK2PLK4PAK4SRC
SCHEMBL3922462 0.83 PAK4 (0.31) ROCK2PAK4
SCHEMBL1710850 0.82 JAK2 (0.49) JAK2POLBKMT2AALDH1A1
SCHEMBL3935098 0.81 AOC3 (0.34) JAK2ROCK2KMT2AKDM4E
SCHEMBL3920946 0.79 KMT2A (0.33) PLK4PAK4POLBKMT2AALDH1A1
SCHEMBL3931669 0.79 NAPEPLD (0.39) ROCK2POLB
SCHEMBL3935055 0.79 CHIT1 (0.39) PAK4ADRB2KDM4E
SCHEMBL3932948 0.79 JAK2 (0.40) JAK2KMT2AALDH1A1CASP1KDM4E

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 1/4885ROCK2 1381/4885PLK4 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.