SCHEMBL2068017

SCHEMBL2068017

CNc1ncc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
APP P05067 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDR P35968 3/20 0.32
DYRK1A Q13627 3/20 0.32
PKM P14618 2/20 0.32
RET P07949 2/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32

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
Hydrochloric Acid SCHEMBL28665193 0.98 ALDH1A1 (0.38) ALDH1A1APPNPC1KMT2AHTT
SCHEMBL15254074 0.79 KMT2A (0.39) ALDH1A1NPC1KMT2AHTTMAPT
SCHEMBL24007390 0.79 ALDH1A1 (0.39) ALDH1A1NPC1KMT2AHTTMAPT
SCHEMBL29235881 0.79 LMNA (0.42) ALDH1A1NPC1HTTMAPTCYP1A2
SCHEMBL2946175 0.79 ALDH1A1 (0.38) ALDH1A1NPC1KMT2AHTTMAPT
SCHEMBL14737329 0.78 APP (0.41) ALDH1A1APPNPC1DYRK1AAURKA
SCHEMBL13940610 0.78 KMT2A (0.46) ALDH1A1NPC1KMT2AHTTMAPT
SCHEMBL22518949 0.77 KMT2A (0.35) ALDH1A1NPC1KMT2AHTTMAPT
SCHEMBL14899146 0.77 APP (0.40) APPCYP1A2CYP2C9AURKARPS6KA3
SCHEMBL2967953 0.77 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-116157388-A Carbocyclic amide derivative and application thereof in medicine 四川海思科制药有限公司 2023-05-23 CN disclosed
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
CN-114437063-A Cyano derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-06 CN disclosed
WO-2021226269-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. (US) 2021-11-11 WO disclosed
CN-113498352-A Imidazo [1,5-A ] pyridines, 1,2, 4-triazolo [4,3-A ] pyridines and imidazo [1,5-A ] pyrazines as JAK inhibitors 施万生物制药研发IP有限责任公司 2021-10-12 CN disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 EP disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 ALDH1A1 2472/4885APP 3929/4885NPC1 388/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH ALDH1A1 4726/4885APP 2520/4885NPC1 2391/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885APP 2520/4885NPC1 2391/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ALDH1A1 2405/4885APP 3939/4885NPC1 412/4885

“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.