SCHEMBL5038382

SCHEMBL5038382

O=C(c1cc(-c2nn[nH]c2-c2cccc(F)c2F)c[nH]1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
MAPK10 P53779 1/20 0.49
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.40
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
GRIN2B Q13224 1/20 0.37
WNT1 P04628 2/20 0.36
DYRK1A Q13627 2/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 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
SCHEMBL14286171 0.92 MAPK1 (0.52) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL14286136 0.79 MAPK1 (0.44) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL5047846 0.78 MAPK1 (0.47) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL14286124 0.76 MAPK1 (0.45) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL14286148 0.73 MAPK1 (0.42) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL14286134 0.71 MAPK1 (0.46) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL4761518 0.70 MAPK1 (0.48) MAPK1MAPK10HPGDATP4AATP4B
SCHEMBL14286149 0.68 MAPK1 (0.41) MAPK1MAPK10HPGDLMNAATP4A
SCHEMBL5407380 0.65 MAPK1 (0.48) MAPK1MAPK10ATP4AATP4BKMT2A
SCHEMBL4761520 0.63 MAPK1 (0.64) MAPK1MAPK10HPGDATP4AATP4B

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 MAPK1 735/4885MAPK10 778/4885HPGD 3122/4885
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 MAPK1 279/4885MAPK10 444/4885HPGD 2601/4885

“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.