SCHEMBL3220499

SCHEMBL3220499

COCCNc1nc(Cl)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LDHA P00338 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
LRRK2 Q5S007 3/20 0.39
CYP3A4 P08684 3/20 0.39
STK17B O94768 2/20 0.39
STK17A Q9UEE5 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
CRHR1 P34998 2/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL3452623 0.85 MEN1 (0.42) KMT2AMEN1MAPK1KDM4ENPC1
SCHEMBL1938676 0.84 STK17A (0.51) KMT2ALDHAMAPK1KDM4ENPC1
SCHEMBL19676024 0.83 STK17A (0.41) KMT2ALDHAMAPK1KDM4ENPC1
SCHEMBL3447092 0.82 KMT2A (0.50) KMT2AMEN1KDM4ESTK17BSTK17A
SCHEMBL15584960 0.81 LDHA (0.39) KMT2ALDHAMAPK1KDM4ENPC1
SCHEMBL13488651 0.81 PDE10A (0.43) LDHALRRK2CYP3A4CYP1A2CYP2C19
SCHEMBL3448628 0.80 PIK3CD (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5151737 0.79 STK17A (0.50) KMT2AMEN1STK17BSTK17ACYP1A2
SCHEMBL27635201 0.79 STK17B (0.44) KMT2AMEN1STK17BSTK17AALDH1A1
SCHEMBL1774700 0.79 KMT2A (0.43) KMT2AMEN1MAPK1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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 (3 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD KMT2A 4408/4885MEN1 859/4885LDHA 158/4885
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 KMT2A 3012/4885MEN1 3222/4885LDHA 1558/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 KMT2A 2543/4885MEN1 3023/4885LDHA 1704/4885

“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.