SCHEMBL9300712

SCHEMBL9300712

CCOC(Cn1ncc(C#N)c1N)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 4/20 0.39
F2 P00734 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MEN1 O00255 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
XDH P47989 2/20 0.34
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
LPAR1 Q92633 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B2 P19099 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
SCHEMBL2078439 0.80 PKM (0.51) PKMKDM4EALDH1A1POLBHTT
SCHEMBL2193196 0.77 PKM (0.55) PKMKDM4EALDH1A1POLBHTT
SCHEMBL2077800 0.75 PKM (0.50) PKMKDM4EALDH1A1POLBHTT
SCHEMBL2077595 0.74 PKM (0.53) PKMKDM4EALDH1A1POLBHTT
SCHEMBL24369805 0.73 CYP11B2 (0.33) PKMCYP11B2
SCHEMBL28094726 0.73 KDM4E (0.43) PKMKDM4EALDH1A1POLBHTT
SCHEMBL7823326 0.72 NPC1 (0.43) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL4760141 0.72 PKM (0.50) PKMKDM4EALDH1A1POLBHTT
SCHEMBL5148552 0.71 SMN1; SMN2 (0.57) PKMKDM4EALDH1A1POLBHTT
SCHEMBL2075577 0.71 PKM (0.49) PKMKDM4EALDH1A1POLBHTT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774800-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-11-13 EP disclosed
US-11702419-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-18 US disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-28 US disclosed
CN-111936495-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-11-13 CN disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-10807987-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-20 US disclosed
US-20190300536-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-03 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-5302712-A Intermediates for cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-12 US disclosed
US-5215982-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
EP-0427248-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-15 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 (6 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH PKM 4234/4885KDM4E 4269/4885ALDH1A1 3253/4885
US-10807987-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C PKM 3831/4885KDM4E 1901/4885ALDH1A1 2709/4885
US-20190300536-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN2B, GRIN2A, GRIN2C PKM 3831/4885KDM4E 1901/4885ALDH1A1 2709/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH PKM 4234/4885KDM4E 4269/4885ALDH1A1 3253/4885
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN2B, GRIN2A, GRIN2C PKM 3831/4885KDM4E 1901/4885ALDH1A1 2709/4885
US-11702419-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C PKM 3831/4885KDM4E 1901/4885ALDH1A1 2709/4885

“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.