SCHEMBL23604642

SCHEMBL23604642

FC(F)c1cc(Br)cnc1NCCC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
JAK2 O60674 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MC4R P32245 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CCR6 P51684 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL19516727 0.79 CFTR (0.36) MEN1PKMKMT2AMAPTCYP11B1
SCHEMBL15052736 0.66 HTT (0.41) PKMKMT2AMAPTALDH1A1JAK2
SCHEMBL19517486 0.65 KMT2A (0.41) MEN1PKMKMT2ALMNAHTT
SCHEMBL17143720 0.64 HTT (0.35) KMT2AHTT
SCHEMBL25768735 0.64 CCNC (0.42) MAPTALDH1A1TDP1POLBHTT
SCHEMBL21459646 0.63 GABRA1 (0.34) KMT2AHTT
SCHEMBL17420922 0.63 SMN1; SMN2 (0.35) KMT2AMAPTALDH1A1HTT
SCHEMBL2352100 0.63 HTT (0.34) KMT2AHTT
SCHEMBL15881065 0.63 KMT2A (0.54) MEN1PKMKMT2AMAPTALDH1A1
SCHEMBL20402618 0.63 MAPT (0.35) MEN1PKMKMT2AMAPTALDH1A1

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-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-01 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-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB ACACB 1059/4885MEN1 4484/4885PKM 3887/4885

“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.