SCHEMBL846068

SCHEMBL846068

CCOCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ADORA2A P29274 7/20 0.42
ADORA1 P30542 7/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 6/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.39
PPARG P37231 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
SCHEMBL879472 0.94 ADORA2A (0.40) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL846336 0.92 ADORA2A (0.43) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL846258 0.90 L3MBTL1 (0.40) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL20057575 0.89 KDM4E (0.40) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL846130 0.88 L3MBTL1 (0.44) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL13066202 0.86 ADORA2A (0.36) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL1254725 0.85 L3MBTL1 (0.45) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL846745 0.85 ROCK2 (0.47) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL19407315 0.85 ADORA2A (0.35) KDM4EADORA2AADORA1ALDH1A1POLB
SCHEMBL1255710 0.83 L3MBTL1 (0.46) KDM4EADORA2AADORA1ALDH1A1POLB

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 41 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-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
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-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
US-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 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-2011027805-A1 THERAPEUTIC AGENT FOR MOOD 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 KDM4E 4721/4885ADORA2A 497/4885ADORA1 796/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 KDM4E 4721/4885ADORA2A 497/4885ADORA1 796/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 KDM4E 3799/4885ADORA2A 82/4885ADORA1 86/4885
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 KDM4E 4721/4885ADORA2A 497/4885ADORA1 796/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 KDM4E 3799/4885ADORA2A 82/4885ADORA1 86/4885

“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.