SCHEMBL842171

SCHEMBL842171

Cc1ccnc(-c2ccco2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
PDE10A Q9Y233 1/20 0.51
MAPK1 P28482 1/20 0.47
CYP2A6 P11509 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 2/20 0.45
NPC1 O15118 2/20 0.45
GFER P55789 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL6816965 0.79 CCR1 (0.94) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL14910966 0.77 ASIC3 (0.53) KDM4EALDH1A1GLAGAAPDE10A
SCHEMBL181893 0.76 CCR1 (1.00) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL29397106 0.76 CCR1 (1.00) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL17742751 0.76 PDE10A (0.50) KDM4EALDH1A1GLAGAAPDE10A
SCHEMBL337077 0.74
SCHEMBL6820852 0.74 CCR1 (0.94) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL6820765 0.74 CCR1 (0.94) CCR1CCR5CCR8KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9639295 0.74 CCR1 (0.94) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL2258309 0.74 CCR1 (0.94) CCR1CCR5CCR8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 WO disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 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 (3 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 CCR1 202/4885CCR5 170/4885CCR8 361/4885
US-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 CCR1 368/4885CCR5 247/4885CCR8 523/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 CCR1 824/4885CCR5 1748/4885CCR8 2395/4885

“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.