SCHEMBL4061973

SCHEMBL4061973

Cc1cc(Cl)ccc1Oc1ccc(N)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
POLB P06746 4/20 0.57
KEAP1 Q14145 1/20 0.56
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ICAM1 P05362 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
SCHEMBL30466097 0.88 KDM4E (0.52) KDM4EPOLBKEAP1CYP1A2CYP3A4
SCHEMBL25279294 0.88 KDM4E (0.52) KDM4EPOLBKEAP1CYP1A2CYP3A4
SCHEMBL12593846 0.87 KEAP1 (0.62) KDM4EPOLBKEAP1CYP1A2CYP3A4
SCHEMBL8122877 0.87 HSPB1 (0.51) KDM4EPOLBKEAP1CYP1A2CYP3A4
SCHEMBL4065605 0.84 KEAP1 (0.59) KDM4EPOLBKEAP1CYP3A4MEN1
SCHEMBL1200417 0.84 KDM4E (0.52) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL15684805 0.82 CYP1A2 (0.46) KDM4EPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL4070182 0.82 KEAP1 (0.60) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL4060269 0.82 CYP3A4 (0.55) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4064001 0.81 KDM4E (0.63) KDM4EPOLBKEAP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
US-6861420-B2 N-substituted 1,2,4,5-tetrahydro-1H-benzo[d]azepine compounds PHARMACIA & UPJOHN COMPANY (US) 2005-03-01 US disclosed
EP-1451176-A2 BENZAZEPINE DERIVATIVES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
US-20030149024-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-08-07 US disclosed
WO-2003045940-A2 BENZAZEPINE DERIVATIVES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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-20020035094-A1 Substituted pyridine compounds and methods of use IL1B, IL6, IL1A KDM4E 1937/4885POLB 3027/4885KEAP1 334/4885
US-20030149024-A1 Therapeutic compounds REN, HMGCR, RPS4X KDM4E 2934/4885POLB 3496/4885KEAP1 1249/4885

“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.