SCHEMBL2239573

SCHEMBL2239573

Nc1nc(Cl)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1.Nc1nc(NC2CC2)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.34
MAPK8 P45983 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SYK P43405 1/20 0.33
SLC6A12 P48065 1/20 0.33
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 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
SCHEMBL1680814 0.95 BTK (0.37) BTKMAPK8SYKMAPK11MAPK14
SCHEMBL1680407 0.89 MAPK8 (0.40) MAPK8ALDH1A1L3MBTL1TDP1GAA
SCHEMBL1681212 0.82 BTK (0.35) BTKMAPK8
SCHEMBL1680840 0.82 KLKB1 (0.39) MAPK8ALDH1A1L3MBTL1TDP1GAA
SCHEMBL1680856 0.81 ALDH1A1 (0.40) MAPK8ALDH1A1L3MBTL1TDP1GAA
SCHEMBL1681018 0.80 MAPK8 (0.42) MAPK8ALDH1A1L3MBTL1GAAHPGD
SCHEMBL1681063 0.80 CCNA2 (0.36) MAPK8ALDH1A1L3MBTL1TDP1GAA
SCHEMBL1680984 0.80 MAPK8 (0.35) BTKMAPK8ALDH1A1L3MBTL1TDP1
SCHEMBL1680854 0.80 MAPK1 (0.39) BTKMAPK8MAPK1
SCHEMBL1680874 0.80 ALDH1A1 (0.48) MAPK8ALDH1A1L3MBTL1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 BTK 2496/4885MAPK8 2211/4885ALDH1A1 1677/4885

“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.