SCHEMBL637551

SCHEMBL637551

[CH2]c1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ADORA2A P29274 2/20 0.52
EGFR P00533 3/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47

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
SCHEMBL11821044 0.76 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3075421 0.75 ADORA2A (0.75) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL637552 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL2010225 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL18087089 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL25620 0.71 PDE4A (1.00) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL276986 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3951708 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
4-Aminoquinazoline SCHEMBL142513 0.71 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL12559893 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A

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 65 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
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-1532149-B9 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2011-04-20 EP claimed
CN-101784278-A Purin derivatives for use in the treatment of FAB-related diseases BOEHRINGER INGELHEIM INT 2010-07-21 CN 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-1532149-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-12-30 EP claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP 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
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
EP-1362048-A1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064595-A1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
CN-1352644-A I-amino triazolo [4,3-alpha] quinazoline -5-ones and/or -5-thiones inhibiting phosphodiesterase IV WARNER LAMBERT CO (US) 2002-06-05 CN 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
CN-1352644-A I-amino triazolo [4,3-alpha] quinazoline -5-ones and/or -5-thiones inhibiting phosphodiesterase IV WARNER LAMBERT CO (US) 2002-06-05 CN disclosed
CN-1348763-A Medicine composite for preventing or treaitng diseases relating to IL-12 over growth WARNER LAMBERT CO (US) 2002-05-15 CN 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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 PI4KA 1546/4885PI4K2B 2905/4885PI4K2A 3134/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 PI4KA 1546/4885PI4K2B 2905/4885PI4K2A 3134/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 PI4KA 1929/4885PI4K2B 1824/4885PI4K2A 1691/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 PI4KA 1903/4885PI4K2B 1621/4885PI4K2A 1649/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 PI4KA 918/4885PI4K2B 1600/4885PI4K2A 1833/4885

“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.