SCHEMBL595359

SCHEMBL595359

Cc1ccc(C(C)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CTSK P43235 2/20 0.41
ABCB1 P08183 1/20 0.40
MAPK1 P28482 2/20 0.40
P2RX3 P56373 4/20 0.39
P2RX2 Q9UBL9 4/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL595925 0.86 TRPA1 (0.50) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL29838159 0.84 TRPA1 (0.43) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL21405137 0.84 TRPA1 (0.43) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL1337974 0.84 FOLH1 (0.45) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL16088896 0.84 TRPA1 (0.43) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL21405109 0.82 TRPA1 (0.42) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL30277283 0.82 CYP2C9 (0.48) TRPA1KMT2ACTSKMAPK1P2RX3
SCHEMBL21405105 0.82 TRPA1 (0.42) TRPA1KMT2ATSHRHSD17B10CTSK
SCHEMBL19962270 0.82 CYP2C9 (0.48) TRPA1KMT2ACTSKMAPK1P2RX3
SCHEMBL23205455 0.80 GPR139 (0.48) KMT2ATSHRHSD17B10CTSKABCB1

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-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP TRPA1 3529/4885KMT2A 1133/4885TSHR 3068/4885

“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.