SCHEMBL1386112

SCHEMBL1386112

[CH2]c1nc2ccccc2c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.54
KMT2A Q03164 3/20 0.48
DCPS Q96C86 1/20 0.46
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GLA P06280 3/20 0.46
MAOA P21397 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
DRD1 P21728 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL3259022 0.80 GPR3 (0.50) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL16563104 0.75 MAPT (0.62) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL2639769 0.75 LMNA (0.52) GPR3KMT2ADCPSKDM4EALDH1A1
SCHEMBL3259039 0.74 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2TDP1RAB9A
SCHEMBL3259198 0.74 LMNA (0.48) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2883734 0.74 ALDH1A1 (0.56) GPR3KMT2ADCPSKDM4EALDH1A1
SCHEMBL28824684 0.73 CYP1A2 (0.44) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL3256101 0.73 ELANE (0.42) GPR3KMT2AALDH1A1HPGDHSD17B10
SCHEMBL2640214 0.73 ABCG2 (0.53) KMT2ATDP1ATML3MBTL1
SCHEMBL19445500 0.73 GPR3 (0.58) GPR3KMT2ADCPSKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US claimed
JP-4832758-B2 2011-12-07 JP claimed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
EP-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP claimed
CN-101784278-A Purin derivatives for use in the treatment of FAB-related diseases BOEHRINGER INGELHEIM INT 2010-07-21 CN claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
EP-1562946-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-08-17 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 WO claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 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 (5 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 GPR3 1690/4885KMT2A 3970/4885DCPS 458/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 GPR3 1601/4885KMT2A 3711/4885DCPS 609/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 GPR3 2903/4885KMT2A 2823/4885DCPS 416/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 GPR3 3222/4885KMT2A 2428/4885DCPS 459/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GPR3 2729/4885KMT2A 2813/4885DCPS 503/4885

“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.