SCHEMBL3935517

SCHEMBL3935517

COc1ccc(C2CCN(c3nc(Nc4cc(C)n[nH]4)n4cccc4n3)C2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
CHRM4 P08173 2/20 0.33
PIK3CA P42336 6/20 0.33
MTOR P42345 4/20 0.33
KIT P10721 1/20 0.32
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
TLR9 Q9NR96 1/20 0.31
USP30 Q70CQ3 1/20 0.31
IGF1R P08069 2/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL3920661 0.88 NPC1 (0.37) ROCK2
SCHEMBL3923698 0.87 NAPEPLD (0.32)
SCHEMBL3935055 0.86 CHIT1 (0.39)
SCHEMBL3930973 0.85 ROCK2 (0.44) ROCK2PIK3CA
SCHEMBL5144275 0.85 PDE10A (0.35) ROCK2
SCHEMBL3921538 0.85 CYP3A4 (0.34)
SCHEMBL3920916 0.83 NTSR1 (0.34) ROCK2CHRM4
SCHEMBL3933865 0.82 PDE9A (0.36) ROCK2
SCHEMBL3926925 0.81 IGF1R (0.32) ROCK2IGF1RKCNH2
SCHEMBL13841146 0.81 JAK2 (0.44) IGF1R

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 ROCK2 1126/4885CHRM4 4419/4885PIK3CA 580/4885

“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.