SCHEMBL595299

SCHEMBL595299

CC1(C)OB(c2ccc(-n3cncn3)nc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
DGAT1 O75907 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL31078304 1.00 MAPT (0.40) MAPTKDM4EPOLBDGAT1IRAK4
SCHEMBL12506099 0.80 KDM4E (0.46) KDM4ELPLLIPGCYP2A6ALDH1A1
SCHEMBL860013 0.78 LMNA (0.46) KDM4EDGAT1IRAK4LPLLIPG
SCHEMBL4554640 0.78 KCNJ1 (0.49) DGAT1IRAK4LPLLIPGFFAR1
SCHEMBL15572422 0.76 LIPG (0.51) KDM4ELPLLIPGCYP2A6ALDH1A1
SCHEMBL9964929 0.75 DGAT1 (0.37) DGAT1IRAK4LPLLIPGFFAR1
SCHEMBL13430107 0.74 DGAT1 (0.39) DGAT1IRAK4LPLLIPGFFAR1
SCHEMBL1927105 0.74 KDM4E (0.44) MAPTKDM4EDGAT1IRAK4LPL
SCHEMBL29378036 0.72 MAPT (0.44) MAPTDGAT1IRAK4LPLLIPG
SCHEMBL1484906 0.72 MAPT (0.44) MAPTDGAT1IRAK4LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 EP disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 EP disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US 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 (4 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 MAPT 3467/4885KDM4E 3239/4885POLB 3998/4885
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 MAPT 2230/4885KDM4E 3065/4885POLB 3977/4885
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT MAPT 1218/4885KDM4E 3464/4885POLB 2375/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MAPT 2597/4885KDM4E 1448/4885POLB 1998/4885

“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.