SCHEMBL5241130

SCHEMBL5241130

O=c1[nH]c2cc(Nc3ccccc3)ccc2n1CC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.67
HPGD P15428 2/20 0.53
EPHX2 P34913 1/20 0.52
PPARG P37231 1/20 0.52
ERCC1 P07992 1/20 0.44
DNASE1 P24855 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
MDM2 Q00987 1/20 0.41
ECE1 P42892 1/20 0.41

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
SCHEMBL5244105 0.94 MAPK9 (0.59) MAPK9HPGDEPHX2PPARGERCC1
SCHEMBL5241797 0.90 MAPK9 (0.66) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5244896 0.90 MAPK9 (0.79) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5243455 0.89 MAPK9 (0.74) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5242553 0.86 MAPK9 (0.74) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5240189 0.86 MAPK9 (0.65) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5241046 0.86 MAPK9 (0.62) MAPK9HPGDEPHX2PPARGCRHR1
SCHEMBL5239995 0.86 MAPK9 (0.80) MAPK9HPGDEPHX2PPARGCDK4
SCHEMBL5243122 0.86 MAPK9 (0.67) MAPK9HPGDEPHX2PPARGJAK2
SCHEMBL5243430 0.84 MAPK9 (0.62) MAPK9HPGDEPHX2PPARGJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US claimed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 MAPK9 1270/4885HPGD 115/4885EPHX2 1829/4885

“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.