SCHEMBL587832

SCHEMBL587832

COc1cc2ccncc2cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MAOA P21397 2/20 0.42
DYRK1A Q13627 2/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42
HASPIN Q8TF76 1/20 0.42
EGFR P00533 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RPS6KA3 P51812 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP19A1 P11511 2/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL30746959 0.78 KDM4E (0.57) MAPTNPC1RAB9AKDM4E
SCHEMBL1536432 0.78 KDM4E (0.57) MAPTNPC1RAB9AKDM4E
SCHEMBL17919704 0.74 CYP2A6 (0.52) MAPTNPC1RAB9AKDM4E
SCHEMBL7980560 0.74 CYP1A2 (0.59) MAPTDYRK1ACSNK1DCSNK1ECLK1
SCHEMBL1271246 0.74 MAOA (0.59) MAPTMAOAKDM4EPDGFRBPDGFRA
SCHEMBL14248268 0.73 KDM4E (0.52) MAPTEGFRNPC1RAB9AKDM4E
SCHEMBL30748587 0.73 KDM4E (0.61) MAPTMAOADYRK1ACLK1KDM4E
SCHEMBL21282170 0.73 PIK3CA (0.48)
SCHEMBL30050418 0.72 CYP11B2 (0.60) MAPTEGFRNPC1RAB9ACYP19A1
Hydrochloric Acid SCHEMBL9623496 0.72 MAOA (0.61) MAOAKDM4EPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
EP-3240537-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-11-08 EP disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO 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 (4 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-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 MAPT 4138/4885MAOA 150/4885DYRK1A 4584/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT MAPT 4122/4885MAOA 1519/4885DYRK1A 3274/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD MAPT 4138/4885MAOA 1452/4885DYRK1A 3401/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 MAPT 4138/4885MAOA 150/4885DYRK1A 4584/4885

“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.