SCHEMBL660176

SCHEMBL660176

[c]1nc(N2CCCCC2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CRHBP P24387 1/20 0.34

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
SCHEMBL564259 0.98 CASP1 (0.37) CYP1A2CASP1CASP4CASP5HRH4
SCHEMBL5102077 0.82 ALDH1A1 (0.43) CYP1A2CASP1CASP4CASP5HRH4
SCHEMBL2363290 0.67 CHKA (0.40) SMN1; SMN2KDM4EGAAALDH1A1MAPT
SCHEMBL14812759 0.67 IP6K1 (0.36) CYP1A2CASP1CASP4CASP5HRH4
SCHEMBL6643440 0.67
SCHEMBL4665338 0.65
SCHEMBL2424620 0.64 HPGD (0.44) SMN1; SMN2GAAALDH1A1MAPTHPGD
SCHEMBL4019264 0.64 CASP1 (0.45) CYP1A2CASP1CASP4CASP5HRH4
SCHEMBL2992722 0.64 CYP1A2 (0.42) CYP1A2CASP1CASP4CASP5HRH4
SCHEMBL6577700 0.64 HRH4 (0.39) CYP1A2CASP1CASP4CASP5HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046288-A1 Hydrazonamide Compounds That Modulate Hsp90 Activity Synta Pharmacueticals Corp. 2012-02-23 US claimed
US-6936711-B2 Process for preparation of penam derivatives from cepham derivatives ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (US) 2005-08-30 US claimed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US disclosed
US-8163730-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-04-24 US disclosed
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP disclosed
US-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 US disclosed
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-02 US disclosed
US-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US disclosed
EP-2061452-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES Piramal Life Sciences Limited (IN) 2009-05-27 EP disclosed
WO-2008026125-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-06 WO disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO disclosed
EP-1523484-A2 3-PHENYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
WO-2004007498-A2 3-PHENYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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 (8 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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 CYP1A2 852/4885CASP1 755/4885CASP4 206/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 CYP1A2 1004/4885CASP1 683/4885CASP4 184/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF CYP1A2 1115/4885CASP1 1615/4885CASP4 3343/4885
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 CYP1A2 145/4885CASP1 4289/4885CASP4 4332/4885
US-20120046288-A1 Hydrazonamide Compounds That Modulate Hsp90 Activity HSP90AB1, HSP90AA1, HSP90AB2P CYP1A2 2726/4885CASP1 3662/4885CASP4 4175/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 CYP1A2 624/4885CASP1 1042/4885CASP4 2209/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 CYP1A2 624/4885CASP1 1042/4885CASP4 2209/4885
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 CYP1A2 1004/4885CASP1 683/4885CASP4 184/4885

“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.