SCHEMBL15840758

SCHEMBL15840758

COc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
ALDH1A1 P00352 7/20 1.00
HSD17B10 Q99714 1/20 1.00
USP2 O75604 2/20 0.78
TSHR P16473 2/20 0.78
RAB9A P51151 4/20 0.77
LMNA P02545 4/20 0.77
KMT2A Q03164 2/20 0.77
MEN1 O00255 1/20 0.77
TDP2 O95551 1/20 0.70
NPSR1 Q6W5P4 3/20 0.58
HTT P42858 3/20 0.58
XBP1 P17861 2/20 0.58
NPC1 O15118 2/20 0.58
CLK1 P49759 1/20 0.58
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
AURKA O14965 1/20 0.54
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL15840607 0.91 MAPT (0.83) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL15840713 0.88 MAPT (0.79) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL15840748 0.85 MAPT (0.75) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL15840773 0.82 MAPT (0.69) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL15840828 0.80 MAPT (0.66) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL5991672 0.80 MAPT (0.66) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL15840775 0.79 ALDH1A1 (0.70) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL6470208 0.79 AURKA (0.79) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL837878 0.77 TDP2 (0.74) MAPTALDH1A1HSD17B10USP2TSHR
SCHEMBL30917202 0.77 TDP2 (0.74) MAPTALDH1A1HSD17B10USP2TSHR

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MAPT 1076/4885ALDH1A1 4348/4885HSD17B10 2391/4885

“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.