SCHEMBL3932209

SCHEMBL3932209

O=C(O)c1cccnc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.53
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TRPV4 Q9HBA0 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
DHODH Q02127 4/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TEAD4 Q15561 1/20 0.43
RAB9A P51151 3/20 0.42

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
SCHEMBL27931903 0.87 NAPRT (0.50) NAPRTKDM4ETDP1TRPV4ALDH1A1
SCHEMBL29630202 0.86 NAPRT (0.41) NAPRTKDM4ETDP1TRPV4ALDH1A1
SCHEMBL9599890 0.85 TRPV4 (0.54) NAPRTKDM4ETDP1TRPV4ALDH1A1
SCHEMBL20524513 0.85 RAB9A (0.54) NAPRTKDM4ETRPV4ALDH1A1MAPT
SCHEMBL15694859 0.83 KDM4E (0.52) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL22259349 0.82 TDP1 (0.60) KDM4ETDP1TRPV4ALDH1A1MAPT
SCHEMBL15662417 0.81 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL30843202 0.81 ALDH1A1 (0.61) KDM4ETRPV4ALDH1A1MAPTL3MBTL1
SCHEMBL16445032 0.80 NAPRT (0.50) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL29458677 0.80 MKNK2 (0.48) NAPRTKDM4ETDP1ALDH1A1MAPT

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-109956929-B Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-09-19 CN disclosed
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 CN disclosed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 US disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
US-9732077-B2 Diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732077-B2 Diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20160318923-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
US-20160318923-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 NAPRT 3332/4885KDM4E 579/4885TDP1 4142/4885
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 NAPRT 2600/4885KDM4E 2204/4885TDP1 4539/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NAPRT 3332/4885KDM4E 579/4885TDP1 4142/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 NAPRT 2600/4885KDM4E 2204/4885TDP1 4539/4885
US-20160318923-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 NAPRT 1748/4885KDM4E 2007/4885TDP1 4455/4885

“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.