SCHEMBL860013

SCHEMBL860013

CC1(C)OB(c2ccc(-n3cccn3)nc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
DGAT1 O75907 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CHRNA7 P36544 1/20 0.37
HPGD P15428 1/20 0.36
FFAR1 O14842 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
SCHEMBL29275445 0.83 KMT2A (0.38) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL23957683 0.83 KMT2A (0.38) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL13033319 0.82 LMNA (0.40) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL14804505 0.81 GRM5 (0.41) LMNAKMT2AKDM4EALDH1A1LPL
SCHEMBL9964929 0.81 DGAT1 (0.37) LPLLIPGDGAT1IRAK4FFAR1
SCHEMBL2016964 0.80 NOTUM (0.49) KMT2AKDM4EALDH1A1LPLLIPG
SCHEMBL16573624 0.79 KDM4E (0.39) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL14577031 0.79 IRAK4 (0.42) LMNAKMT2AKDM4EALDH1A1LPL
SCHEMBL23797273 0.78 IRAK4 (0.43) KDM4EALDH1A1LPLLIPGIRAK4
SCHEMBL595299 0.78 MAPT (0.40) KMT2AKDM4EALDH1A1LPLLIPG

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 35 patents — showing the first 20. 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
EP-2888008-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES MERCK SHARP & DOHME (US) 2018-12-26 EP disclosed
EP-2719697-B1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-08-01 EP disclosed
EP-2719697-B1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-08-01 EP disclosed
US-9868733-B2 Azabenzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 US disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 US disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 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-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 LMNA 4042/4885KMT2A 2280/4885KDM4E 1965/4885
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 LMNA 1631/4885KMT2A 3498/4885KDM4E 3065/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 LMNA 860/4885KMT2A 1019/4885KDM4E 1280/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR LMNA 3708/4885KMT2A 2825/4885KDM4E 1448/4885

“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.