SCHEMBL752833

SCHEMBL752833

[c]1n[nH]cc1-c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CSNK1A1 P48729 1/20 0.31

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
SCHEMBL81650 0.69 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL297602 0.68 NISCH (0.48) NISCHMTORADKALDH1A1MEN1
SCHEMBL28425230 0.67 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL1536214 0.67 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL696450 0.67 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL543214 0.67 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL7392336 0.67 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL569550 0.65 NISCH (0.45) NISCHMTORADKALDH1A1MEN1
SCHEMBL3612034 0.63 ALDH1A1 (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL2084172 0.63 NISCH (0.42) NISCHMTORADKALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238668-B2 Synthesis of platinum and palladium complexes as narrow-band phosphorescent emitters for full color displays ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-01-19 US claimed
CN-102482264-A 2-carbamoyl-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB 2012-05-30 CN claimed
EP-2448934-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 AstraZeneca AB (SE) 2012-05-09 EP claimed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO claimed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US claimed
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP claimed
EP-1366043-B1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-06-20 EP claimed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US claimed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO claimed
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-10-17 US claimed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US claimed
EP-0735019-B1 Retroviral protease inhibitors MONSANTO CO (US) 2000-09-20 EP claimed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US claimed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US claimed
EP-0110259-A1 1,4-Dihydropyridines, processes for their preparation and their use in medicines BAYER AG (DE) 1984-06-13 EP claimed
CN-117956827-A Light-emitting device including heterocyclic compound, electronic apparatus, and heterocyclic compound 三星显示有限公司 2024-04-30 CN disclosed
US-20240000812-A1 PHARMACOLOGICAL AGENTS FOR TREATING CONDITIONS OF THE EYE PLEX PHARMACEUTICALS INC (US) 2024-01-04 US disclosed
US-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed
EP-0297697-B1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1993-12-29 EP disclosed
EP-0011302-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 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 (4 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-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications PPARG, PPARA, PPARD NISCH 1825/4885MTOR 857/4885ADK 712/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A NISCH 2358/4885MTOR 1992/4885ADK 1946/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 NISCH 508/4885MTOR 2291/4885ADK 1956/4885
US-20240000812-A1 PHARMACOLOGICAL AGENTS FOR TREATING CONDITIONS OF THE EYE TTR, COMT, PON1 NISCH 4107/4885MTOR 2066/4885ADK 3082/4885

“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.