SCHEMBL970674

SCHEMBL970674

[c]1nc(-c2ccccn2)co1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
LMNA P02545 3/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
CYP1A2 P05177 2/20 0.56
POLB P06746 1/20 0.56
METAP1 P53582 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
DOHH Q9BU89 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
NPC1 O15118 6/20 0.48
TP53 P04637 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALOX15 P16050 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL4390652 0.77
Dipyridyl SCHEMBL29907716 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL8655605 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL2383343 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL497901 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL11800041 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL4577373 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781922-A TGR5 agonists EXELIXIS INC 2012-11-14 CN claimed
CN-102395567-A Triazole and imidazole derivatives for use as tgr5 agonists in the treatment of diabetes and obesity EXELIXIS INC 2012-03-28 CN claimed
CN-102361872-A Fused pyrimidines as AKT inhibitors BAYER SCHERING PHARMA AG 2012-02-22 CN claimed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US claimed
EP-2186810-A1 Poly-heteroaryl derivatives for the treatment of cancer Institut Curie (FR) 2010-05-19 EP claimed
US-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2009-10-08 US claimed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US claimed
EP-1731548-B1 Use of fluorescent polysiloxanes in chemical sensors for detection or dosage of nitrated compounds COMMISSARIAT ENERGIE ATOMIQUE (FR) 2009-03-11 EP claimed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP claimed
EP-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP claimed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 EP claimed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
EP-1607401-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors Metabasis Therapeutics, Inc. (US) 2005-12-21 EP claimed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US claimed
CN-1337961-A Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2002-02-27 CN claimed
EP-0329563-B1 BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP claimed
CN-115974806-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-04-18 CN disclosed
CN-113226037-A Metal complexes for promoting the growth of photosynthetic organisms 帝国理工学院创新有限公司 2021-08-06 CN disclosed
CN-1211240-A Quinazoline derivatives as antitumor agents ZENECA LTD (GB) 1999-03-17 CN disclosed
CN-1098411-A The oxazolidinedione derivative, their production and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-02-08 CN 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-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 KDM4E 3210/4885LMNA 4347/4885CCR1 1/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 KDM4E 3077/4885LMNA 48/4885CCR1 640/4885

“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.