SCHEMBL8439255

SCHEMBL8439255

CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 3/20 0.68
MAPT P10636 3/20 0.64
ALDH1A1 P00352 7/20 0.62
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RECQL P46063 1/20 0.61
MDM2 Q00987 1/20 0.61
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HPGD P15428 3/20 0.58
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 2/20 0.56

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
SCHEMBL27628883 0.87 KDM4E (0.78) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL18479755 0.85 KDM4E (0.76) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL4705592 0.84 KDM4E (0.62) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL15331425 0.84 MAPK1 (0.76) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL18990660 0.84 KDM4E (0.65) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL24113579 0.82 MAPK1 (0.74) KDM4EMAPK1MAPTALDH1A1LMNA
SCHEMBL18479757 0.82 KDM4E (0.76) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL16391745 0.82 KDM4E (0.64) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL18990354 0.82 KDM4E (0.67) KDM4EMAPK1MAPTALDH1A1TDP1
SCHEMBL16028019 0.82 KDM4E (0.67) KDM4EMAPK1MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 US disclosed
US-20120142712-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-8106060-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-31 US disclosed
US-7820815-B2 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-26 US disclosed
US-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 US disclosed
WO-2007014886-A1 HYDROCHLORIDES AND HYDRATES OF 1-[(3-CYANOPYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-(3-AMINOPIPERIDIN-1-YL)XANTHINE, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 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 (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-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES UGT1A8, XDH, CYP2C8 KDM4E 1956/4885MAPK1 1995/4885MAPT 2197/4885
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH KDM4E 1953/4885MAPK1 2186/4885MAPT 1612/4885
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS KDM4E 1167/4885MAPK1 2053/4885MAPT 872/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS KDM4E 1167/4885MAPK1 2053/4885MAPT 872/4885
US-20120142712-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH KDM4E 1953/4885MAPK1 2186/4885MAPT 1612/4885

“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.