SCHEMBL21325971

SCHEMBL21325971

O=C(c1cc(F)cc(F)c1)N1CCc2nc(-c3ccccn3)ncc2C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.56
KDR P35968 1/20 0.52

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
SCHEMBL29586847 1.00 HSP90AB1 (0.56) HSP90AB1KDR
SCHEMBL21326063 0.91 PDGFRB (0.54) KDR
SCHEMBL29587388 0.91 PDGFRB (0.54) KDR
SCHEMBL21326025 0.91 HSP90AB1 (0.68) HSP90AB1
SCHEMBL29586646 0.91 HSP90AB1 (0.68) HSP90AB1
SCHEMBL21326011 0.89 PDGFRB (0.58) HSP90AB1
SCHEMBL29587104 0.89 PDGFRB (0.58) HSP90AB1
SCHEMBL21326010 0.88 HSP90AB1 (0.54) HSP90AB1
SCHEMBL29586534 0.88 HSP90AB1 (0.54) HSP90AB1
SCHEMBL21326027 0.86 PDGFRB (0.54) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088103-B Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN claimed
US-10968217-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US claimed
US-20200062747-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-02-27 US claimed
EP-3535262-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2019-09-11 EP claimed
CN-110088103-B Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-10968217-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
US-10968217-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
EP-3535262-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
EP-3535262-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-20200062747-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-02-27 US disclosed
US-20200062747-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-02-27 US disclosed
EP-3535262-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2019-09-11 EP 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 (2 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-10968217-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection TPMT, DPYD, HAVCR2 HSP90AB1 2125/4885KDR 2097/4885
US-20200062747-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPMT, DPYD, HAVCR2 HSP90AB1 1935/4885KDR 2439/4885

“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.