SCHEMBL3326163

SCHEMBL3326163

[c]1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
SLC9A1 P19634 1/20 0.47
RECQL P46063 1/20 0.47
CYP19A1 P11511 2/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TNF P01375 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL17508613 0.84 TDP1 (0.38) GRM2SLC9A1RECQLCYP19A1LMNA
SCHEMBL20535098 0.84 ALDH1A1 (0.48) LMNACYP11B1ALDH1A1KDM4E
SCHEMBL3321570 0.82 GRM2 (0.49) GRM2CYP19A1LMNASMN1; SMN2TDP1
SCHEMBL4261667 0.80 HTT (0.42) RECQLLMNAALDH1A1KDM4EGAA
SCHEMBL570746 0.77 SLC9A1 (0.44) GRM2SLC9A1LMNASMN1; SMN2ALDH1A1
SCHEMBL20535135 0.76 ALDH1A1 (0.41) LMNAALDH1A1MEN1KMT2A
SCHEMBL1047732 0.76 GRM2 (0.47) GRM2LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL29136175 0.76 SLC9A1 (0.58) SLC9A1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL29199475 0.74 SLC9A1 (0.47) GRM2SLC9A1CNR1CNR2LMNA
SCHEMBL570412 0.74 TDO2 (0.39) ALDH1A1KDM4ETSHRHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968217-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US claimed
EP-3535262-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP 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
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
CN-102066316-A Novel compounds derived from taurine, process for their preparation and pharmaceutical compositions containing them EMS SA 2011-05-18 CN claimed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO claimed
EP-0510748-B1 Use of a methoxy alkanoic acid of indazole for the manufacture of a medicament for the treatment of autoimmune diseases ANGELINI RICERCHE SPA (IT) 1996-03-20 EP claimed
EP-0382276-B1 Ethers of 1-benzyl-3-hydroxymethyl-indazole with aliphatic 2-hydroxyacids ACRAF (IT) 1995-08-30 EP claimed
US-5278183-A Benzylindazole carboxylates INSTITUTO RICERCA FRANCESCO ANGELINI S.P.A. (IT) 1994-01-11 US claimed
EP-0510748-A1 Use of a methoxy alkanoic acid of indazole for the manufacture of a medicament for the treatment of autoimmune diseases ANGELINI RICERCHE S.p.A. SOCIETA' CONSORTILE (IT) 1992-10-28 EP claimed
US-5112986-A Chemical intermediates for analgesics AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1992-05-12 US claimed
US-4999367-A Analgesics AZIENDE CHIMICHE RUINITE ANGELINI FRANCESCO A. C. R. A. F. S. P. A. (IT) 1991-03-12 US claimed
EP-0382276-A2 Ethers of 1-benzyl-3-hydroxymethyl-indazole with aliphatic 2-hydroxyacids AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 1990-08-16 EP claimed
JP-6040915-A None JP disclosed
US-4999367-A Analgesics AZIENDE CHIMICHE RUINITE ANGELINI FRANCESCO A. C. R. A. F. S. P. A. (IT) 1991-03-12 US disclosed
EP-0382276-A2 Ethers of 1-benzyl-3-hydroxymethyl-indazole with aliphatic 2-hydroxyacids AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 1990-08-16 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 GRM2 3007/4885SLC9A1 3182/4885RECQL 82/4885
US-20200062747-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPMT, DPYD, HAVCR2 GRM2 3165/4885SLC9A1 3517/4885RECQL 142/4885

“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.