SCHEMBL15518781

SCHEMBL15518781

Cn1cc(C(F)(F)F)nc1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ CYP11B2 P19099 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ PSMB8 P28062 1/20 0.30
▸ AR P10275 1/20 0.30
▸ USP1 O94782 1/20 0.30

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
SCHEMBL20450689 0.77 — —
SCHEMBL20587683 0.76 — —
SCHEMBL15507820 0.71 — —
SCHEMBL17198879 0.71 HTT (0.38) HTTSCN5A
SCHEMBL27031606 0.70 USP1 (0.36) CYP11B2HTTSCN9AUSP1
SCHEMBL29691250 0.70 GABRA1 (0.43) SCN9AARUSP1
SCHEMBL15401808 0.69 — —
SCHEMBL25466644 0.69 HTT (0.33) PDE10AHTTSCN5A
SCHEMBL15685802 0.69 PTGS2 (0.34) PDE10AHTTLMNASCN5A
SCHEMBL31036626 0.69 ALDH1A1 (0.44) HTTMEN1ALDH1A1LMNAKMT2A

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
EP-2892893-B2 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-10-16 — — EP disclosed
EP-2892893-B1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-12-21 — — EP disclosed
US-9447086-B2 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-09-20 — — US disclosed
US-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-18 — — US disclosed
EP-2892893-A1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2015-07-15 — — EP disclosed
CN-104603125-A 6-amino acid heteroaryl dihydropyrimidines for the treatment and prevention of hepatitis B virus infection HOFFMANN LA ROCHE 2015-05-06 — — CN disclosed
US-20150031687-A1 Novel 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-01-29 — — US disclosed
WO-2014037480-A1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-03-13 — — 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 (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-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION CYP2B6, HAVCR2, CYP2D6 PDE10A 4534/4885CYP11B2 1268/4885HTT 2683/4885
US-20150031687-A1 Novel 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection CYP2B6, HAVCR2, CYP2D6 PDE10A 4534/4885CYP11B2 1268/4885HTT 2683/4885

“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.

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