SCHEMBL3263193

SCHEMBL3263193

Cc1nc2c(c3ccccc13)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
BCHE P06276 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CACNB4 O00305 1/20 0.50
CACNA1A O00555 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
ABCC4 O15439 1/20 0.50
CACNA1G O43497 1/20 0.50
CACNG3 O60359 1/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1H O95180 1/20 0.50
APP P05067 1/20 0.50
FABP1 P07148 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL25771767 0.98 BCHE (0.51) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL25795846 0.98 BCHE (0.51) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL13169612 0.96 BCHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL3263191 0.77 ACHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL2801708 0.77 ACHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL2800503 0.76 BCHE (0.51) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL527199 0.74 ACHE (0.65) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL1654050 0.73 BCHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL8349279 0.73 ACHE (0.54) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL8349281 0.73 BCHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
US-11616203-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-03-28 US disclosed
US-20190319198-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-10-17 US disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
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 disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
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 disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A ACHE 3260/4885BCHE 3296/4885ALDH1A1 2838/4885
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 ACHE 469/4885BCHE 872/4885ALDH1A1 198/4885
US-11616203-B2 Organic electroluminescent materials and devices ICOSLG, APOL1, OXA1L ACHE 884/4885BCHE 2702/4885ALDH1A1 254/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ACHE 309/4885BCHE 756/4885ALDH1A1 401/4885
US-20190319198-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ICOSLG, APOL1, OXA1L ACHE 884/4885BCHE 2702/4885ALDH1A1 254/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ACHE 309/4885BCHE 756/4885ALDH1A1 401/4885

“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.