SCHEMBL1032268

SCHEMBL1032268

CCN(Cc1ccncc1)C(=O)c1c(-c2ccco2)c(C)cn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BLM P54132 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL1031570 0.85 MEN1 (0.38) USP2MEN1KMT2APOLBLMNA
SCHEMBL1032267 0.73 TDP1 (0.36) USP2POLBLMNAALDH1A1TSHR
SCHEMBL1030274 0.72 POLB (0.46) USP2MEN1KMT2APOLBLMNA
SCHEMBL1031424 0.70 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL1030480 0.68 ALDH1A1 (0.54) USP2MEN1KMT2APOLBLMNA
SCHEMBL14818747 0.68 MAPK1 (0.78) USP2MEN1KMT2APOLBLMNA
SCHEMBL1032651 0.67 KMT2A (0.47) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL1031918 0.67 ALDH1A1 (0.47) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL16565835 0.67 USP2 (0.65) USP2MEN1KMT2ALMNAGFER
SCHEMBL1031580 0.66 ALDH1A1 (0.55) MEN1KMT2APOLBLMNAALDH1A1

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 USP2 3368/4885MEN1 4776/4885KMT2A 1507/4885

“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.