SCHEMBL3934604

SCHEMBL3934604

CCc1cc(Nc2nc(N3CCC(c4cccnc4)C3)nc3cccn23)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SPR P35270 1/20 0.33
HSD11B1 P28845 1/20 0.32
ROCK2 O75116 2/20 0.31
GSK3B P49841 1/20 0.31
GRM2 Q14416 2/20 0.31
NAMPT P43490 1/20 0.31
APLNR P35414 1/20 0.31
F10 P00742 1/20 0.31
AOC3 Q16853 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL3931577 0.91 PDCD1LG2 (0.33) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3923661 0.91 NAPEPLD (0.35) ROCK2GRM2
SCHEMBL5144275 0.90 PDE10A (0.35) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3931601 0.90 NR3C1 (0.34) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3922738 0.88 PDE10A (0.35) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3935799 0.88 ROCK2 (0.32) PDCD1LG2CD274PDE10AROCK2GSK3B
SCHEMBL3924292 0.87 PDE10A (0.35) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3924561 0.87 PDE10A (0.33) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3926054 0.86 PDE10A (0.34) PDCD1LG2CD274PDE10ASPRHSD11B1
SCHEMBL3922278 0.86 PDE10A (0.33) PDCD1LG2CD274PDE10ASPRROCK2

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 3 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
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 PDCD1LG2 2466/4885CD274 2808/4885PDE10A 3060/4885

“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.