SCHEMBL383145

SCHEMBL383145

O=c1[nH]c2ccc(Br)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.56
GRIN3B O60391 5/20 0.56
GRIN1 Q05586 5/20 0.56
GRIN2A Q12879 5/20 0.56
GRIN2B Q13224 5/20 0.56
GRIN2C Q14957 5/20 0.56
GRIN3A Q8TCU5 5/20 0.56
KDM4E B2RXH2 3/20 0.56
METAP2 P50579 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
ABL1 P00519 1/20 0.52
NTRK1 P04629 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52

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
SCHEMBL30973144 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL615808 0.86 POLB (0.53) KDM4EMETAP2CHEK1AURKADAPK3
SCHEMBL16208357 0.76 ALDH1A1 (0.56) KDM4EPOLBMAPTHSD17B10MEN1
SCHEMBL29874884 0.76 ALDH1A1 (0.56) KDM4EPOLBMAPTHSD17B10MEN1
SCHEMBL16627567 0.74 METAP2 (0.46) METAP2CHEK1AURKADAPK3JAK2
SCHEMBL10153752 0.74 PARP1 (0.56) KDM4EMETAP2CHEK1AURKADAPK3
SCHEMBL18548573 0.74 CYP19A1 (0.49) METAP2CHEK1AURKADAPK3JAK2
SCHEMBL4704929 0.74 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807512 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807513 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198259-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2021-07-01 US disclosed
EP-3807282-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2021-04-21 EP disclosed
CN-112204032-A Heterocyclic derivatives and use thereof C&C新药研究所 2021-01-08 CN disclosed
US-10249831-B2 Electronic device containing cyclic lactams MERCK PATENT GMBH (DE) 2019-04-02 US disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
EP-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (7 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-10249831-B2 Electronic device containing cyclic lactams OXA1L, UROD, MRPL21 GRIN2D 358/4885GRIN3B 1369/4885GRIN1 660/4885
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GRIN2D 2186/4885GRIN3B 2342/4885GRIN1 1765/4885
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS OXA1L, UROD, MRPL21 GRIN2D 358/4885GRIN3B 1369/4885GRIN1 660/4885
US-20210198259-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF HRH4, HRH2, HRH1 GRIN2D 1532/4885GRIN3B 1693/4885GRIN1 1205/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885

“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.