SCHEMBL12929331

SCHEMBL12929331

COC(c1cccc(OCc2ccc(Cl)cc2)c1OCC(F)(F)F)c1c[nH]c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
ADRA1D P25100 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL414396 0.90 KMT2A (0.41) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL12929328 0.89 HTR1A (0.40) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL12929333 0.89 KMT2A (0.36) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL12929332 0.88 KMT2A (0.35) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL14148169 0.85 KMT2A (0.34) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL12929324 0.78 KMT2A (0.41) KMT2ANPSR1GAAKDM4ENPC1
SCHEMBL413557 0.78 KMT2A (0.43) KMT2ANPSR1GAAKDM4EHTR1A
SCHEMBL412513 0.77 KDR (0.41) KMT2ANPSR1GAAKDM4ERAB9A
SCHEMBL414260 0.77 PTGER1 (0.34) KMT2AFGFR1FGFR4BRD4CYP1A2
SCHEMBL414033 0.77 TP53 (0.39) KMT2ANPSR1GAAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 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 (1 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885NPSR1 4558/4885GAA 990/4885

“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.