SCHEMBL846745

SCHEMBL846745

O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
LCK P06239 3/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL879501 0.94 KDM5C (0.44) ROCK2WNT1GSK3BDYRK1AADORA2A
SCHEMBL846130 0.89 L3MBTL1 (0.44) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL1254213 0.87 ADORA2A (0.52) ROCK2ADORA2AADORA1
SCHEMBL1256698 0.87 SMN1; SMN2 (0.48) ROCK2ADORA2AADORA1KMT2AL3MBTL1
SCHEMBL846336 0.86 ADORA2A (0.43) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL846068 0.85 KDM4E (0.42) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL19407339 0.84 ADORA2A (0.39) ROCK2ADORA2AADORA1MEN1MAPT
SCHEMBL846258 0.84 L3MBTL1 (0.40) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL1254725 0.84 L3MBTL1 (0.45) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL1255710 0.84 L3MBTL1 (0.46) ADORA2AADORA1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
EP-3378860-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2018-09-26 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed
WO-2011027806-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS 協和発酵キリン株式会社 (JP) 2011-03-10 WO disclosed
WO-2010126082-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS 協和発酵キリン株式会社 (JP) 2010-11-04 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-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 ROCK2 2848/4885WNT1 3577/4885GSK3B 3195/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 ROCK2 2848/4885WNT1 3577/4885GSK3B 3195/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ROCK2 4276/4885WNT1 2403/4885GSK3B 800/4885
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 ROCK2 2848/4885WNT1 3577/4885GSK3B 3195/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ROCK2 4276/4885WNT1 2403/4885GSK3B 800/4885

“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.