SCHEMBL20006052

SCHEMBL20006052

CC(C)(C)OC(=O)Nc1cccc(C(=O)Cc2ccnc(Cl)n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
AAK1 Q2M2I8 8/20 0.39
RXFP1 Q9HBX9 1/20 0.39
METAP1 P53582 1/20 0.37
P2RX7 Q99572 1/20 0.36
IDO1 P14902 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
LCK P06239 1/20 0.34
SREBF2 Q12772 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL30605929 0.85 MEN1 (0.37)
SCHEMBL3884176 0.84 TRPV1 (0.36)
SCHEMBL1127585 0.82 MEN1 (0.42)
SCHEMBL2254723 0.77 TRPV1 (0.40) RXFP1P2RX7
SCHEMBL1873673 0.76 BRAF (0.49) LCK
SCHEMBL18616818 0.76 TRPV1 (0.35)
SCHEMBL24257006 0.75 TSHR (0.45)
SCHEMBL23477989 0.75 MAPK8 (0.34)
SCHEMBL1127143 0.75 SLC40A1 (0.46) LCK
SCHEMBL23458147 0.75 MAPK13 (0.35)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303551-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE 2023-09-28 US disclosed
US-20230303551-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE 2023-09-28 US disclosed
US-20230303551-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE 2023-09-28 US disclosed
EP-4196228-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF Albert Einstein College of Medicine (US) 2023-06-21 EP disclosed
WO-2022036176-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-02-17 WO disclosed
US-20190263796-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES CELLIPSE (FR) 2019-08-29 US disclosed
WO-2018055097-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES CELLIPSE (FR) 2018-03-29 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 (2 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-20230303551-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF BRAF, RAF1, NRAS ATR 3119/4885AAK1 1970/4885RXFP1 1226/4885
US-20190263796-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES LIMK1, LIMK2, LMTK3 ATR 1167/4885AAK1 231/4885RXFP1 1545/4885

“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.