SCHEMBL353356

SCHEMBL353356

O=c1[nH]n[c]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKCI P41743 1/20 0.42
PDE4B Q07343 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 3/20 0.41
PRMT5 O14744 1/20 0.39
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
PDPK1 O15530 1/20 0.34
CA12 O43570 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
SCHEMBL8938161 0.71 PARP1 (0.39) PARP1TDP1KDM4EALOX15GAA
SCHEMBL2557 0.70
SCHEMBL555502 0.67 CYP1A2 (0.44) PARP1ALDH1A1HSD17B10PRKCIPDE4B
SCHEMBL2925291 0.64 PARP1 (0.42) PARP1ALDH1A1HSD17B10TDP1ATM
SCHEMBL8116544 0.63 ALDH1A1 (0.52) PARP1ALDH1A1HSD17B10PRKCIPDE4B
SCHEMBL2514183 0.62 ELANE (0.32) ALDH1A1HSD17B10NPSR1POLBKDM4E
SCHEMBL2514493 0.61 GPR3 (0.34) PARP1ALDH1A1HSD17B10ATMKDM4E
SCHEMBL1032659 0.61 PRMT5 (0.60) PARP1ALDH1A1HSD17B10ATMNPSR1
SCHEMBL353252 0.60 HPGD (0.40) ATMKDM4EALOX5SMN1; SMN2MEN1
Phthalazinone SCHEMBL51553 0.60 PARP1 (1.00) PARP1ALDH1A1HSD17B10PRKCIPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP claimed
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US claimed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP claimed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US claimed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US claimed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
US-5912244-A MUSCLE DISORDERS, BREATHING DISORDERS AND URINARY INCONTINENCE PFIZER INC. (US) 1999-06-15 US claimed
EP-0712398-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1997-05-07 EP claimed
EP-0712398-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1996-05-22 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
WO-1995004730-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1995-02-16 WO claimed
EP-0290153-A1 Heterobicyclic quinolone derivatives Pfizer Limited (GB) 1988-11-09 EP 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 (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-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 PARP1 2104/4885ALDH1A1 238/4885HSD17B10 1124/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 PARP1 2104/4885ALDH1A1 238/4885HSD17B10 1124/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 PARP1 2104/4885ALDH1A1 238/4885HSD17B10 1124/4885

“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.