SCHEMBL1304053

SCHEMBL1304053

[CH2]c1cnn(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
HPGDS O60760 1/20 0.53
ALKBH2 Q6NS38 1/20 0.53
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM4 Q14833 8/20 0.44
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTR2B P41595 1/20 0.42
MTNR1A P48039 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL3399230 0.80 CYP2A6 (0.53) GAAGRM4HTTMTOR
SCHEMBL3143603 0.77 NPC1 (0.50) GAARAB9ANPC1GRM4MTOR
SCHEMBL9191311 0.75 NPC1 (0.60) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL515503 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL2784980 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL255496 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL152495 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL221485 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL19542254 0.74 GAA (0.59) GAAHPGDSALKBH2RAB9ANPC1
SCHEMBL2419571 0.74 GAA (1.00) GAAHPGDSALKBH2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy HELMHOLTZ ZENTRUM MUENCHEN—DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT GMBH (DE) 2018-11-27 US disclosed
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2018-07-05 US disclosed
US-9840504-B2 Pyrazolopyridine derivatives and their use in therapy HELMHOLTZ ZENTRUM MUENCHEN—DEUTSCHES FORSCHUNGZENTRUM FUER GESUNDHEIT UN (DE) 2017-12-12 US disclosed
US-20170247375-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUNCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-08-31 US disclosed
EP-3191484-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-07-19 EP disclosed
US-9375008-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2016-06-28 US disclosed
CN-104211688-B The pyrazole compound of controlling invertebrate pests BASF SE (DE) 2016-04-13 CN disclosed
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US disclosed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 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 (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-20170247375-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY TPP1, PRDX5, TPMT GAA 1048/4885HPGDS 1107/4885ALKBH2 3952/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 GAA 988/4885HPGDS 1233/4885ALKBH2 1308/4885
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY TPP1, PRDX5, TPMT GAA 1048/4885HPGDS 1107/4885ALKBH2 3952/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E GAA 990/4885HPGDS 1179/4885ALKBH2 1598/4885
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy TPP1, PRDX5, TPMT GAA 1048/4885HPGDS 1107/4885ALKBH2 3952/4885

“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.