SCHEMBL5034026

SCHEMBL5034026

O=C(Nc1ccccc1)c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 8/20 0.42
MAPK14 Q16539 4/20 0.42
MAPK1 P28482 1/20 0.41
DYRK3 O43781 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
NTRK1 P04629 2/20 0.38
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
CDK1 P06493 2/20 0.38
CSF1R P07333 2/20 0.38
LYN P07948 2/20 0.38
SRC P12931 2/20 0.38
MARK3 P27448 2/20 0.38
AXL P30530 2/20 0.38
FLT4 P35916 2/20 0.38
FLT3 P36888 2/20 0.38
FRK P42685 2/20 0.38

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
SCHEMBL5037204 0.87 NOTUM (0.36) MAPK7MAPK14DYRK3PRKD3MAP4K4
SCHEMBL14286143 0.82 MAPK1 (0.46) MAPK7MAPK14MAPK1DYRK3PRKD3
SCHEMBL14600768 0.80 MAP3K5 (0.36) DYRK3PRKD3MAP4K4ABL1EGFR
SCHEMBL14286139 0.80 ROCK2 (0.40) MAPK7MAPK14MAPK1LYNGSK3A
SCHEMBL14286148 0.79 MAPK1 (0.42) MAPK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5037077 0.79 ALDH1A1 (0.36) MAPK1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14278772 0.77 MAPK1 (0.49) MAPK1GSK3BLMNAGAAMEN1
SCHEMBL5784221 0.75 HCAR1 (0.39) ALDH1A1
SCHEMBL5037079 0.68 KCNN4 (0.40) ALDH1A1
SCHEMBL5033986 0.68 NOTUM (0.36) MAPK7MAPK14MAPK1DYRK3PRKD3

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 8 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-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 MAPK7 926/4885MAPK14 684/4885MAPK1 735/4885
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 MAPK7 421/4885MAPK14 141/4885MAPK1 279/4885

“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.