SCHEMBL23301587

SCHEMBL23301587

Nc1c(Br)cc(I)cc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 1/20 0.32
GBA1 P04062 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CNR1 P21554 1/20 0.32
TBXA2R P21731 1/20 0.32
HRH2 P25021 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSK3B P49841 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
SCHEMBL29897454 1.00 GAA (0.36) GAAMAPTCA1CA2CA9
SCHEMBL20670556 0.78 TTR (0.39) CA1CA2CA9SLC6A4
SCHEMBL9956000 0.78 CYP2D6 (0.47) GAAMAPTCA1CA2CA9
SCHEMBL29414354 0.78 CYP2D6 (0.47) GAAMAPTCA1CA2CA9
SCHEMBL27876809 0.77 CYP2D6 (0.46) GAAMAPTCA1CA2CA9
SCHEMBL28062197 0.77 MAPT (0.58) GAAMAPTCA1CA2CA9
SCHEMBL1571082 0.75 GAA (0.36) GAAMAPTCA1CA2CA9
SCHEMBL29939894 0.75 MCL1 (0.36) GAAMAPTCA1CA2CA9
SCHEMBL19776327 0.75 MCL1 (0.36) GAAMAPTCA1CA2CA9
SCHEMBL5643150 0.75 GAA (0.36) GAAMAPTLMNAGBA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637428-B2 Isoquinoline derivatives as SIK2 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2026-05-26 US disclosed
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 US disclosed
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 US disclosed
EP-4051664-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS Cancer Research Technology Limited (GB) 2022-09-07 EP disclosed
WO-2021084264-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 WO disclosed
WO-2021084264-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 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-12637428-B2 Isoquinoline derivatives as SIK2 inhibitors SIK2, SIK1, SIK3 GAA 3848/4885MAPT 2835/4885CA1 1974/4885
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 GAA 3095/4885MAPT 1838/4885CA1 2816/4885

“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.