SCHEMBL5037204

SCHEMBL5037204

O=C(O)c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
OPRD1 P41143 4/20 0.34
OPRM1 P35372 1/20 0.34
MDM2 Q00987 1/20 0.31
CCKBR P32239 1/20 0.31
CHRM4 P08173 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
KDR P35968 1/20 0.31
TTR P02766 1/20 0.31
DHODH Q02127 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPK7 Q13164 1/20 0.30
MAPK14 Q16539 1/20 0.30
DCLK1 O15075 1/20 0.30
DYRK3 O43781 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 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
SCHEMBL5034026 0.87 MAPK7 (0.42) KDRMAPK7MAPK14DCLK1DYRK3
SCHEMBL14286148 0.85 MAPK1 (0.42)
SCHEMBL5037077 0.85 ALDH1A1 (0.36) HCAR1CHRM4PIK3C3
SCHEMBL5784221 0.81 HCAR1 (0.39) HCAR1OPRD1OPRM1CCKBR
SCHEMBL14286139 0.80 ROCK2 (0.40) MAPK7MAPK14ROCK2LYNGSK3A
SCHEMBL5033986 0.80 NOTUM (0.36) NOTUMHCAR1TTRMAPK7MAPK14
SCHEMBL5037079 0.80 KCNN4 (0.40) NOTUM
SCHEMBL14278786 0.79 HCAR1 (0.38) NOTUMHCAR1MDM2CHRM4HSP90AA1
SCHEMBL14278719 0.77 OPRD1 (0.37) OPRD1OPRM1CCKBRDHODH
SCHEMBL14278772 0.77 MAPK1 (0.49) GSK3B

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 9 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
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-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US 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 4015/4885OPRD1 3515/4885
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 4132/4885OPRD1 3379/4885

“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.