SCHEMBL846335

SCHEMBL846335

N#Cc1cnc2c(c1)COCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
HTT P42858 1/20 0.35
TNF P01375 1/20 0.35
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ROCK2 O75116 2/20 0.32
LRRK2 Q5S007 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL6026284 0.75 SMN1; SMN2 (0.46) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL846320 0.75 KDM4E (0.42) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL29377550 0.75 KDM4E (0.42) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL29478590 0.75 SMN1; SMN2 (0.46) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL30695898 0.74 LIMK1 (0.30)
SCHEMBL1210409 0.74 LIMK1 (0.30)
SCHEMBL2054542 0.74 WNT3A (0.33) MAP3K14DRD2
SCHEMBL27202528 0.74 SMN1; SMN2 (0.45) HTTKDM4EALDH1A1LMNA
SCHEMBL20614676 0.74
SCHEMBL29618376 0.72 LMNA (0.37) HTTKDM4EALDH1A1LMNAGAA

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 17 patents. 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
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-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
EP-2474544-B1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-12 EP disclosed
EP-2474543-B1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-05-03 EP disclosed
US-9249135-B2 Therapeutic agent for mood disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-02 US disclosed
US-20150225417-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2015-08-13 US disclosed
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO., LTD. (JP) 2015-03-19 US disclosed
US-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-19 US disclosed
EP-2474544-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP disclosed
EP-2474543-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP 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
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 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 (8 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-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS TPH1, HDAC1, HDAC2 MAP3K14 3329/4885HTT 682/4885TNF 2961/4885
US-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 MAP3K14 2652/4885HTT 41/4885TNF 4443/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 MAP3K14 2652/4885HTT 41/4885TNF 4443/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 MAP3K14 3617/4885HTT 969/4885TNF 4579/4885
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 MAP3K14 2652/4885HTT 41/4885TNF 4443/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 MAP3K14 3617/4885HTT 969/4885TNF 4579/4885
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 MAP3K14 3617/4885HTT 969/4885TNF 4579/4885
US-20150225417-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 MAP3K14 2652/4885HTT 41/4885TNF 4443/4885

“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.