SCHEMBL1031268

SCHEMBL1031268

Cc1cnc(C(=O)N2CCN(C(=O)c3c(-c4ccc(Cl)cc4)c(C)cn3Cc3ccccc3F)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 5/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 4/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
HTR2A P28223 1/20 0.37
HTT P42858 1/20 0.37
MYC P01106 1/20 0.35
HPGD P15428 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 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
SCHEMBL1032228 0.80 KMT2A (0.45) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL2637921 0.78 MAPT (0.48) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1029094 0.73 CHRNA7 (0.42) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL1031060 0.72 CYP2C9 (0.43) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL15511503 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL1748810 0.71 SCN5A (0.46) KMT2AMEN1HTR2AHPGD
SCHEMBL1030188 0.71 P2RX7 (0.46) KMT2AMEN1NPC1KCNK3KCNK9
SCHEMBL1032537 0.71 CNR2 (0.53) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4103785 0.70 MAPT (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL1027589 0.70 MAPT (0.41) ALDH1A1LMNAKMT2AMEN1POLB

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-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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO 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
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 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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 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 (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 ALDH1A1 2168/4885LMNA 2854/4885KDM4E 829/4885

“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.