SCHEMBL3922274

SCHEMBL3922274

Cc1cc(Nc2nc(N3CCC(c4ccccc4)C3)nc3cccn23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.41
PAK1 Q13153 4/20 0.41
PAK4 O96013 4/20 0.41
JAK2 O60674 6/20 0.38
NTRK1 P04629 4/20 0.37
ROCK2 O75116 1/20 0.37
AURKA O14965 4/20 0.37
AURKB Q96GD4 3/20 0.37
PLK4 O00444 3/20 0.36
ABL1 P00519 2/20 0.35
LCK P06239 2/20 0.35
CSF1R P07333 2/20 0.35
KIT P10721 2/20 0.35
FGFR1 P11362 2/20 0.35
SRC P12931 2/20 0.35
PDGFRA P16234 2/20 0.35
TYK2 P29597 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
PTK2 Q05397 2/20 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
SCHEMBL3929547 0.90 PAK1 (0.37) RETPAK1PAK4JAK2NTRK1
SCHEMBL3926826 0.88 RET (0.40) RETPAK1PAK4JAK2NTRK1
SCHEMBL3924185 0.83 JAK2 (0.37) RETPAK1PAK4JAK2NTRK1
SCHEMBL4213948 0.83 JAK2 (0.37) RETPAK1PAK4JAK2NTRK1
SCHEMBL3928070 0.81 ROCK2 (0.37) PAK1PAK4ROCK2
SCHEMBL3923661 0.81 NAPEPLD (0.35) ROCK2
SCHEMBL3931669 0.81 NAPEPLD (0.39) ROCK2BTK
SCHEMBL15484970 0.81 NPC1 (0.39) PAK4ROCK2
SCHEMBL1722352 0.80 JAK2 (0.58) PAK1PAK4JAK2NTRK1ROCK2
SCHEMBL3935055 0.79 CHIT1 (0.39) PAK1PAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US 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 RET 114/4885PAK1 529/4885PAK4 837/4885

“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.