SCHEMBL3859982

SCHEMBL3859982

O=[N+]([O-])c1cc(F)cc2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 4/20 0.39
MAPK1 P28482 3/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
PGR P06401 1/20 0.35
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31276651 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4174631 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL17320636 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL18306166 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4176261 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6634968 0.78 PARP1 (0.51) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29739713 0.78 PARP1 (0.51) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1515807 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4182016 0.76 VCAM1 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL31009333 0.76 MAPT (0.45) MAPTALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 US disclosed
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-09-12 US disclosed
US-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2019-07-09 US disclosed
US-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2019-07-09 US disclosed
US-20180354951-A1 Substituted Pyrazolo[1,5-a] Pyridine As Tropomyosin Receptor Kinase (trk) Inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2018-12-13 US disclosed
EP-2791138-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2018-06-06 EP disclosed
EP-2791138-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2018-06-06 EP disclosed
US-9782391-B2 Substituted imidazo[1,2-a]pyridine compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9782391-B2 Substituted imidazo[1,2-a]pyridine compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9782391-B2 Substituted imidazo[1,2-a]pyridine compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (7 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-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands TYK2, JAK1, JAK2 MAPT 2684/4885ALDH1A1 3949/4885MEN1 3085/4885
US-20180354951-A1 Substituted Pyrazolo[1,5-a] Pyridine As Tropomyosin Receptor Kinase (trk) Inhibitors MUSK, DMPK, PNCK MAPT 708/4885ALDH1A1 3267/4885MEN1 4591/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B MAPT 1240/4885ALDH1A1 4812/4885MEN1 3354/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ MAPT 3830/4885ALDH1A1 3885/4885MEN1 3474/4885
US-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors MUSK, DMPK, PNCK MAPT 708/4885ALDH1A1 3267/4885MEN1 4591/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX MAPT 2057/4885ALDH1A1 313/4885MEN1 2472/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MAPT 1924/4885ALDH1A1 736/4885MEN1 1910/4885

“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.