SCHEMBL23301641

SCHEMBL23301641

NCc1cc(Br)cc(I)c1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 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
SCHEMBL1765276 0.78 LOXL2 (0.33) CYP2A6
SCHEMBL12480416 0.75 CCR5 (0.36) CYP2A6
SCHEMBL23328149 0.75 CYP2A6 (0.31) CYP2A6
Hydrochloric Acid SCHEMBL18953222 0.73 CCR5 (0.35) CYP2A6
SCHEMBL20828819 0.70 DGAT1 (0.30)
SCHEMBL9939277 0.70 CYP2A6 (0.44) CYP2A6
SCHEMBL25172358 0.70 CYP2A6 (0.44) CYP2A6
SCHEMBL19250640 0.68 LOXL2 (0.36) CYP2A6
SCHEMBL31623173 0.68 LOXL2 (0.36) CYP2A6
SCHEMBL13977269 0.67 TAAR1 (0.46)

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-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
EP-4051664-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS Cancer Research Technology Limited (GB) 2022-09-07 EP disclosed
WO-2021084265-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 WO disclosed
WO-2021084265-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
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 CYP2A6 2348/4885
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 CYP2A6 4076/4885

“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.