SCHEMBL9890577

SCHEMBL9890577

CC(=O)Nc1cc(-c2nc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 8/20 0.45
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9109647 0.88 MAPT (0.43) MAPTKDM4EKMT2AALDH1A1HPGD
SCHEMBL9104246 0.88 HSP90AB1 (0.46) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL10183164 0.88 HSD17B10 (0.48) MAPTPOLBHSD17B10KDM4EALOX15
SCHEMBL9890578 0.86 HPGD (0.47) MAPTPOLBKDM4EKMT2AL3MBTL1
SCHEMBL9105067 0.85 ALDH1A1 (0.46) MAPTPOLBHSD17B10KDM4EMEN1
SCHEMBL9104901 0.85 GAA (0.44) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL9108936 0.85 ALDH1A1 (0.48) MAPTPOLBHSD17B10KDM4EALOX15
SCHEMBL9108437 0.84 PIK3C3 (0.42) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL9888733 0.84 PIK3C3 (0.38) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL9106485 0.84 PIK3C3 (0.38) MAPTKDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 MAPT 4237/4885POLB 745/4885HSD17B10 415/4885

“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.