SCHEMBL2008080

SCHEMBL2008080

O=Cc1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 5/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ERN1 O75460 1/20 0.38
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MGAM O43451 1/20 0.35
FDPS P14324 1/20 0.35
MAP3K5 Q99683 1/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL27910297 0.98 KDM4E (0.41) KDM4EGPR3EGFRALDH1A1GAA
Formic Acid SCHEMBL7099139 0.94 ERN1 (0.39) KDM4EGPR3EGFRALDH1A1GAA
SCHEMBL1784501 0.83 KDM4E (0.45) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL2804480 0.79 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL27545204 0.79 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL4812818 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL6597825 0.79 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1GAA
SCHEMBL31511445 0.79 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL30759006 0.76 CYP2A6 (0.40) KDM4EALDH1A1MAPTERN1
SCHEMBL11767773 0.76 ALDH1A1 (0.43) KDM4EALDH1A1MAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853729-B Quinazoline-2-ketone compound and preparation method and application thereof 汕头大学医学院 2024-03-29 CN claimed
CN-108884044-A PIPERIDINE DERIVATIVE 大塚制药株式会社 2018-11-23 CN claimed
CN-107001332-A New piperidine derivative 豪夫迈·罗氏有限公司 2017-08-01 CN claimed
CN-103201270-B P2x4 receptor antagonist NIPPON CHEMIPHAR CO 2015-06-24 CN claimed
CN-102060786-A 4-(substituted-1,3-diyne)-4-(trifluoromethyl)-3,4-dihydro substituted quinazoline-2-ketone compound as well as preparation method and application thereof UNIV TIANJIN 2011-05-18 CN claimed
US-7459415-B1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2008-12-02 US claimed
US-20030199694-A1 Thermally stable trimetrexates and processes for producing the same MEDIMMUNE ONCOLOGY, INC. 2003-10-23 US claimed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US claimed
US-20020107393-A1 Tremextrexate derivatives and pharmaceutical compositions comprising the same MEDIMMUNE ONCOLOGY, INC. 2002-08-08 US claimed
EP-1080079-A4 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME US BIOSCIENCE (US) 2001-10-04 EP claimed
US-6258952-B1 CRYSTALLIZATION MEDIMMUNE ONCOLOGY, INC. 2001-07-10 US claimed
EP-1080079-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 2001-03-07 EP claimed
WO-1999059981-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 1999-11-25 WO claimed
US-12616653-B2 Solid orodispersible pharmaceutical composition in film containing lorazepam ALTERGON S.A. (CH) 2026-05-05 US disclosed
EP-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 EP disclosed
EP-4511128-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF Kumquat Biosciences Inc. (US) 2025-02-26 EP disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 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 (3 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-12616653-B2 Solid orodispersible pharmaceutical composition in film containing lorazepam SIGMAR1, OPRD1, GABRE KDM4E 2261/4885GPR3 1975/4885EGFR 4784/4885
US-20030199694-A1 Thermally stable trimetrexates and processes for producing the same TYMS, TYMP, TOP1 KDM4E 661/4885GPR3 3219/4885EGFR 4373/4885
US-20020107393-A1 Tremextrexate derivatives and pharmaceutical compositions comprising the same TYMP, TYMS, DTYMK KDM4E 673/4885GPR3 730/4885EGFR 2127/4885

“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.