SCHEMBL15858751

SCHEMBL15858751

CC(C)c1cccc(-c2cnc(C(C)C)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.34
MAPK14 Q16539 3/20 0.33
THRB P10828 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 1/20 0.31
CHRNA7 P36544 1/20 0.30

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
SCHEMBL13615880 0.83 ASIC3 (0.46) MAPK14KDM4EMEN1ALDH1A1MAPT
SCHEMBL24958732 0.76 KDM4E (0.57) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL12922238 0.75 CCR1 (0.46) TGFBR1MAPK14THRBKDM4EMEN1
SCHEMBL21610561 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2754041 0.73 KDR (0.49)
SCHEMBL8257857 0.72 KDM4E (0.66) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2609332 0.71 KMT2A (0.60) TGFBR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL13615878 0.69 ASIC3 (0.48) TGFBR1CHRNA7
SCHEMBL25763705 0.69 NPC1 (0.38) TGFBR1KDM4EALDH1A1MAPTHPGD
SCHEMBL786336 0.69 PGK1 (0.39) TGFBR1ALDH1A1MAPTHPGDCHRNA7

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-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 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-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 TGFBR1 3447/4885MAPK14 1977/4885THRB 4191/4885

“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.