SCHEMBL19767666

SCHEMBL19767666

CCS(=O)(=O)c1ccc(NC(=O)C(C)C)nc1-c1nc2cc(C)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ RORC P51449 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GCK P35557 1/20 0.31

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
SCHEMBL19767677 0.89 JAK1 (0.41) RORCJAK1TYK2GCK
SCHEMBL31534701 0.88 DDR1 (0.35) RORC
SCHEMBL18013263 0.88 DDR1 (0.35) RORC
SCHEMBL19767665 0.87 JAK1 (0.33) RORCJAK1TYK2
SCHEMBL19767676 0.83 AOC3 (0.33) SMN1; SMN2
SCHEMBL19767670 0.80 PTGER4 (0.32) RORCALDH1A1PKM
SCHEMBL19767669 0.80 KDM4E (0.34) RORCMEN1KMT2A
SCHEMBL19767680 0.80 NPC1 (0.33) JAK1TYK2
SCHEMBL19762754 0.79 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL19767675 0.79 CA12 (0.34) —

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-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 — — 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-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4B1, CYP1B1, CYP8B1 TSHR 745/4885RORC 2921/4885ALDH1A1 363/4885

“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.

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