SCHEMBL19507682

SCHEMBL19507682

COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2[nH]nc(-c3ccco3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
RAB9A P51151 8/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 5/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
EGFR P00533 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL19475696 0.87 FYN (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19508350 0.85 MAPT (0.31) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL19507750 0.84 MAPT (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19507752 0.84 FYN (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19508346 0.83 MEN1 (0.31) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19507678 0.82 CLK4 (0.41) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19507728 0.80 LRRK2 (0.37) MAPTGAAHSD17B10MAPK1HTT
SCHEMBL19507751 0.78 MKNK1 (0.38) MEN1KMT2ASMN1; SMN2MAPK1TP53
SCHEMBL19507771 0.77 MKNK1 (0.40) MEN1KMT2ASMN1; SMN2MAPK1TP53
SCHEMBL12067067 0.76 TNNI3K (0.55)

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-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 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-20190119284-A1 ErbB Inhibitors and Uses Thereof ERBB3, ERBB2, EGFR MAPT 4239/4885RAB9A 1707/4885ALDH1A1 4182/4885

“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.