SCHEMBL5033986

SCHEMBL5033986

O=C(O)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
MAPK7 Q13164 4/20 0.32
MAPK14 Q16539 3/20 0.32
DCLK1 O15075 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
MARK3 P27448 1/20 0.32
AXL P30530 1/20 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
SCHEMBL14286143 0.87 MAPK1 (0.46) MAPK7MAPK14DCLK1DYRK3ROCK2
SCHEMBL14286134 0.85 MAPK1 (0.46) MAPK1MAPK10
SCHEMBL5037204 0.80 NOTUM (0.36) NOTUMHCAR1MAPK7MAPK14DCLK1
SCHEMBL5036482 0.77 CYP2C9 (0.35) MAPK7MAPK14DCLK1DYRK3ROCK2
SCHEMBL14286137 0.77 MAPK1 (0.53) GSK3BMAPK1MAPK10
SCHEMBL5037079 0.73 KCNN4 (0.40) NOTUM
SCHEMBL14278767 0.72 HSP90AA1 (0.50) NOTUMHCAR1MAPK9MAPK10
SCHEMBL14278786 0.72 HCAR1 (0.38) NOTUMHCAR1CCNCCDK8CYP3A4
SCHEMBL14600767 0.70 GSK3B (0.36) HCAR1MAPK7MAPK14DCLK1DYRK3
SCHEMBL5034026 0.68 MAPK7 (0.42) MAPK7MAPK14DCLK1DYRK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660487-B1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMA (US) 2008-03-19 EP disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1660487-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met VERTEX PHARMACEUTICALS INCORPORATED 2005-05-12 US disclosed
WO-2005016920-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-24 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 (2 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-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met MET, PRKCH, DMPK NOTUM 1441/4885HCAR1 4015/4885MAPK7 926/4885
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase MET, DMPK, CDK4 NOTUM 1881/4885HCAR1 4132/4885MAPK7 421/4885

“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.