SCHEMBL4724433

SCHEMBL4724433

Cc1ccc2c(c1)C=NCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.34
PARP10 Q53GL7 2/20 0.33
PARP1 P09874 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
HTR5A P47898 2/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
METAP1 P53582 2/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL30025550 0.84 ADRA2A (0.34) ADRA2APARP10PARP1HTR5AALDH1A1
SCHEMBL7938077 0.84 ADRA2A (0.34) ADRA2APARP10PARP1HTR5AALDH1A1
Hydrochloric Acid SCHEMBL11820690 0.82 ADRA2A (0.33) ADRA2APARP10HTR5AALDH1A1CYP1A2
SCHEMBL9573156 0.80 HTR2A (0.38) ADRA2APARP10PARP1HTR5AMETAP1
SCHEMBL29991918 0.80 HTR2A (0.38) ADRA2APARP10PARP1HTR5AMETAP1
SCHEMBL7934799 0.79 HTR5A (0.38) ADRA2APARP10PARP1CYP19A1CYP11B2
Hydrochloric Acid SCHEMBL11649289 0.78 HTR2A (0.37) ADRA2APARP10PARP1HTR5AMETAP1
SCHEMBL28293542 0.77
SCHEMBL23348757 0.76 PBRM1 (0.37)
SCHEMBL9572969 0.76 ADRA2A (0.39) ADRA2APARP10PARP1HTR5AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN disclosed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN disclosed
EP-3719099-A1 PHOSPHORESCENT MATERIALS Universal Display Corporation (US) 2020-10-07 EP disclosed
EP-3351247-A1 BENZOQUINOLONE INHIBITORS OF VMAT2 Auspex Pharmaceutical, Inc. (US) 2018-07-25 EP disclosed
EP-3327100-A2 PHOSPHORESCENT MATERIALS Universal Display Corporation (US) 2018-05-30 EP disclosed
EP-2489716-B1 Phosphorescent materials UNIVERSAL DISPLAY CORP (US) 2017-12-27 EP disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
EP-1973909-A2 TRANSFORMING GROWTH FACTOR MODULATORS Biogen Idec MA Inc. (US) 2008-10-01 EP disclosed
WO-2007076127-A2 CONDENSED IMIDAZOLES OR PYRAZOLES AND THEIR USE AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 WO disclosed
CN-1875003-A Process for producing dihydroisoquinoline zwitterions and organic catalyst PROCTER & GAMBLE (US) 2006-12-06 CN disclosed
EP-1680404-A1 PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS The Procter & Gamble Company (US) 2006-07-19 EP disclosed
US-20050113246-A1 Process of producing an organic catalyst THE PROCTER & GAMBLE COMPANY 2005-05-26 US disclosed
WO-2005047264-A1 PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
US-5229387-A Cardiovascular disorders, alpha2-adenoreceptor antagonist or hydroxytryptamine receivers as hypotensive agents SYNTEX (U.S.A.) INC. (US) 1993-07-20 US disclosed
EP-0524004-A1 Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 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 (1 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-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 ADRA2A 4563/4885PARP10 1502/4885PARP1 2596/4885

“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.