SCHEMBL35210910

SCHEMBL35210910

CC(C)(C)OC(=O)Nc1cc(F)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.41
CYP17A1 P05093 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
SYK P43405 1/20 0.37
METAP1 P53582 1/20 0.37
LCK P06239 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ATR Q13535 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15583603 0.89 AAK1 (0.41) AAK1CYP17A1RXFP1CA1CA2
SCHEMBL15511586 0.85 AAK1 (0.39) AAK1CYP17A1RXFP1CA1CA2
SCHEMBL16992932 0.85 CYP17A1 (0.44) AAK1CYP17A1RXFP1CA1CA2
SCHEMBL24157078 0.84 ATR (0.42) AAK1RXFP1BRD9METAP1LCK
SCHEMBL31493121 0.84 ATR (0.42) AAK1RXFP1BRD9METAP1LCK
SCHEMBL4790101 0.83 MAP4K4 (0.39) AAK1RXFP1CA1CA2BRD9
SCHEMBL20095391 0.82 MEN1 (0.38) AAK1RXFP1BRD9METAP1LCK
SCHEMBL17336530 0.81 AAK1 (0.42) AAK1CYP17A1RXFP1CA1CA2
SCHEMBL30755583 0.81 L3MBTL1 (0.41) AAK1CYP17A1RXFP1METAP1LCK
SCHEMBL594117 0.80 CYP17A1 (0.40) AAK1CYP17A1RXFP1CA1CA2

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-20260125389-A1 MEMBRANE-ASSOCIATED TYROSINE AND THREONINE KINASE INHIBITOR AND USE THEREOF HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO LTD (CN) 2026-05-07 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-20260125389-A1 MEMBRANE-ASSOCIATED TYROSINE AND THREONINE KINASE INHIBITOR AND USE THEREOF PKMYT1, PKN1, ROS1 AAK1 2016/4885CYP17A1 1812/4885RXFP1 884/4885

“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.