SCHEMBL3563144

SCHEMBL3563144

Cn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 5/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CHRNB2 P17787 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1E P28566 1/20 0.45
CHRNA3 P32297 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 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
SCHEMBL387339 0.79 ALDH1A1 (0.54) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL3180528 0.78 ADORA2A (0.59) MAPTSMN1; SMN2GLAHSD17B10CYP2C9
SCHEMBL10309249 0.78 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL1241218 0.78 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL6890038 0.78 CHRNB2 (0.53) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL18343921 0.78 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL3178085 0.76 ADORA2A (0.58) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL10309259 0.75 ALDH1A1 (0.61) ALDH1A1GAAKMT2AMAPTNPSR1
SCHEMBL2473169 0.75 ADORA2A (0.53) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL3178135 0.75 MEN1 (0.46) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5276989-A None JP disclosed
JP-10175853-A None JP disclosed
US-7838529-B2 Xanthine derivates, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-7495005-B2 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1554278-B1 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP disclosed
EP-1554278-A2 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-20 EP disclosed
EP-1018546-B1 MICROORGANISMS PRODUCING 5-AMINOLEVULINIC ACID AND PROCESSES FOR PRODUCING 5-AMINOLEVULINIC ACID BY USING THE SAME COSMO RES INST (JP) 2005-04-13 EP disclosed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
WO-2004018467-A2 PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed
US-6342377-B1 AEROBIC PROCESS COSMO RESEARCH INTITUTE (JP) 2002-01-29 US disclosed
EP-1018546-A1 MICROORGANISMS PRODUCING 5-AMINOLEVULINIC ACID AND PROCESSES FOR PRODUCING 5-AMINOLEVULINIC ACID BY USING THE SAME Cosmo Research Institute (JP) 2000-07-12 EP disclosed
JP-H10175853-A APOTOSIS INDUCING AGENT COSMO SOGO KENKYUSHO:KK 1998-06-30 JP disclosed
JP-H05276989-A PRODUCTION OF CAROTENOIDS AND CAROTENOID COMPOUND COSMO SOGO KENKYUSHO:KK 1993-10-26 JP 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ALDH1A1 112/4885GAA 2197/4885KMT2A 2570/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA ALDH1A1 160/4885GAA 1829/4885KMT2A 4610/4885
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS XDH, CALCRL, GPR119 ALDH1A1 274/4885GAA 1746/4885KMT2A 4285/4885

“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.