SCHEMBL194389

SCHEMBL194389

[C]1=Cc2cccc3cccc(c23)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
KMT2A Q03164 13/20 0.35
MEN1 O00255 12/20 0.35
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 6/20 0.35
KDM4E B2RXH2 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
APAF1 O14727 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1B1 Q16678 1/20 0.35
NPC1 O15118 2/20 0.33
GRK6 P43250 1/20 0.33
NR4A1 P22736 3/20 0.32

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
SCHEMBL18203882 0.70 MEN1 (0.52) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL4074645 0.68 GAA (0.34) MAPTGAA
SCHEMBL1005829 0.67 ALDH1A1 (0.45) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL3944442 0.65 GRK6 (0.39) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL29413773 0.64 GRK6 (0.42) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL29988480 0.64 GRK6 (0.42) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL8113 0.64 GRK6 (0.42) RAD52KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL11423023 0.62 GRK6 (0.41) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL752653 0.62 GRK6 (0.37) RAD52KMT2AMEN1MAPTALDH1A1
SCHEMBL2865 0.62 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153605-B1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL UNIV DRESDEN TECH (DE) 2018-07-11 EP claimed
EP-3153605-A1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-04-12 EP claimed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP claimed
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 US claimed
EP-2197840-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-11-06 EP claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
US-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 US claimed
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 EP claimed
EP-2197869-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-06-23 EP 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
WO-2009047105-A1 SULPHONIUM SALT INITIATORS BASF SE (CH) 2009-04-16 WO claimed
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US claimed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 WO claimed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US claimed
CN-101346370-A PDF inhibitors NOVARTIS AG (CH) 2009-01-14 CN claimed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP 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
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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

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 RAD52 4803/4885KMT2A 3970/4885MEN1 3475/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 RAD52 4623/4885KMT2A 3711/4885MEN1 3546/4885
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives CAMK1D, CAMK1, PHPT1 RAD52 3537/4885KMT2A 2295/4885MEN1 1835/4885
US-20100297540-A1 SULPHONIUM SALT INITIATORS SULT1A1, SULT2A1, NCOA1 RAD52 4561/4885KMT2A 320/4885MEN1 4604/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 RAD52 4527/4885KMT2A 2813/4885MEN1 3915/4885

“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.