SCHEMBL1403728

SCHEMBL1403728

Brc1cnc(-n2ccnc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NOTUM Q6P988 1/20 0.38
TSHR P16473 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP21A2 P08686 1/20 0.37
PDE5A O76074 2/20 0.37

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
SCHEMBL3627279 0.79 CD38 (0.42) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL989991 0.78 CYP3A4 (0.52) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL5303077 0.76 LMNA (0.50) LMNAKMT2ACYP3A4CYP11B1CYP17A1
SCHEMBL5303366 0.76 CYP19A1 (0.45) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL8982024 0.76 MEN1 (0.46) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL23094492 0.75 CYP11B1 (0.43) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL29956144 0.75 ENPP2 (0.39) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL3273198 0.75 CYP11B1 (0.41) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL9257702 0.75 LMNA (0.39) LMNAMEN1KMT2AUSP2NPSR1
SCHEMBL14639112 0.75 CD38 (0.46) LMNAMEN1KMT2AUSP2NPSR1

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-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2007039581-A1 IMIDAZOLYL-SUBSTITUTED DIAZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 LMNA 3796/4885MEN1 1415/4885KMT2A 3976/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD LMNA 3677/4885MEN1 4302/4885KMT2A 4754/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS LMNA 3930/4885MEN1 217/4885KMT2A 2472/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS LMNA 3930/4885MEN1 217/4885KMT2A 2472/4885

“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.