SCHEMBL3576329

SCHEMBL3576329

FC(F)(F)c1cccc(-c2nc(C3CCNCC3)cs2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
HTR2C P28335 2/20 0.52
PIM1 P11309 2/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
MAPK9 P45984 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PLAT P00750 2/20 0.44
TLR7 Q9NYK1 1/20 0.43
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL13031691 0.88 ALDH1A1 (0.49) MEN1KMT2APOLBPIM1ALDH1A1
SCHEMBL3588524 0.87 HTR2C (0.44) MEN1KMT2APOLBHTR2CPIM1
SCHEMBL3579579 0.85 HTR2C (0.51) MEN1KMT2APOLBHTR2CPIM1
SCHEMBL3573492 0.81 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1PLAT
SCHEMBL3588119 0.81 PLAT (0.51) PIM1PLATTLR7
SCHEMBL4261299 0.81 MEN1 (0.60) MEN1KMT2APOLBHTR2CMAPK13
SCHEMBL2300164 0.80 HPGDS (0.51) MEN1KMT2APOLBHTR2CALDH1A1
Bromide SCHEMBL2982781 0.80 MEN1 (0.59) MEN1KMT2APOLBHTR2CMAPK13
Trifluoroacetic Acid SCHEMBL2346054 0.79 ALDH1A1 (0.47) MEN1KMT2APOLBPIM1MAPK13
SCHEMBL3575940 0.77 PLAT (0.42) MEN1KMT2APOLBALDH1A1PLAT

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MEN1 4848/4885KMT2A 3866/4885POLB 4548/4885

“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.