SCHEMBL1032170

SCHEMBL1032170

Cc1cn(C)c(C(=O)NCc2cc(F)cc(F)c2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
MMP1 P03956 2/20 0.45
MMP7 P09237 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45
AURKA O14965 1/20 0.44
ENPP2 Q13822 1/20 0.42
TACR1 P25103 4/20 0.42
HTT P42858 1/20 0.41
MET P08581 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1031804 0.91 ALDH1A1 (0.42) RIPK1MMP1MMP7MMP9MMP8
SCHEMBL1032781 0.82 MMP13 (0.54) MMP1MMP7MMP9MMP8MMP13
SCHEMBL1032752 0.81 EPHX1 (0.40) RIPK1AURKAENPP2TACR1
SCHEMBL1029323 0.80 MAPK14 (0.57) MMP13
SCHEMBL1030468 0.80 P2RX7 (0.48)
SCHEMBL1030747 0.75 NPC1 (0.53) MAPT
SCHEMBL1027589 0.75 MAPT (0.41) MAPTLMNAALDH1A1
SCHEMBL1032465 0.73 TP53 (0.42) AURKALMNAALDH1A1
SCHEMBL1032252 0.73 HTT (0.46) HTTALDH1A1
SCHEMBL1081579 0.72 GRIA4 (0.47) HTTMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 RIPK1 2964/4885MMP1 3537/4885MMP7 1478/4885

“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.