SCHEMBL25044005

SCHEMBL25044005

CCOC(OCC)C(=N)NCc1cc(Cl)c(F)c(I)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL558635 0.77 TSHR (0.57) TSHRSMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL23301209 0.74
SCHEMBL20517089 0.74 P2RX7 (0.33)
SCHEMBL24271320 0.74 TSHR (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23301085 0.72 TACR1 (0.38) TSHRSMN1; SMN2MAPT
SCHEMBL21634892 0.72
SCHEMBL30236348 0.72 IDO1 (0.31)
SCHEMBL30907399 0.71 TSHR (0.33) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL557943 0.71 P2RX7 (0.43) MEN1KMT2AALDH1A1
SCHEMBL558676 0.70 MEN1 (0.45) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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 3 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

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 TSHR 985/4885SMN1; SMN2 925/4885TRPV1 3669/4885
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 TSHR 2796/4885SMN1; SMN2 1347/4885TRPV1 3936/4885

“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.