SCHEMBL27199374

SCHEMBL27199374

Cn1cc(NC(=O)O)c2c(=O)n(CC(F)(F)F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.35
TRPA1 O75762 3/20 0.35
LIPG Q9Y5X9 2/20 0.34
NTRK1 P04629 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL27199516 0.87 KDM4E (0.35) TRPA1KDM4E
SCHEMBL27199568 0.85 PTGDR2 (0.35) PTGDR2TRPA1LIPGNTRK1KMT2A
SCHEMBL30895065 0.85 CNR2 (0.38) TRPA1LIPGRAB9ASMN1; SMN2KDM4E
SCHEMBL27199319 0.81 TP53 (0.39) KMT2AGAARAB9AKDM4EALDH1A1
SCHEMBL27199393 0.80 KDM4E (0.36) PTGDR2KMT2AMEN1GAARAB9A
SCHEMBL27199440 0.80 GRM2 (0.36) LMNA
SCHEMBL27199631 0.77 MAP3K5 (0.37)
SCHEMBL27199407 0.77 MAPT (0.36) TRPA1NTRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27199304 0.76 L3MBTL1 (0.39) KMT2AMEN1GAARAB9AKDM4E
Hydrochloric Acid SCHEMBL27199587 0.76 MEN1 (0.33) KMT2AMEN1

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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 PTGDR2 3987/4885TRPA1 4800/4885LIPG 3674/4885

“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.