SCHEMBL23328149

SCHEMBL23328149

Cc1cc(Br)cc(CN)c1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1145128 0.81 CA1 (0.33)
SCHEMBL1144806 0.79 SHBG (0.34) ALDH1A1HSD17B10
SCHEMBL1765276 0.78 LOXL2 (0.33) CYP2A6
SCHEMBL1144875 0.77 NQO2 (0.35) ALDH1A1
SCHEMBL10039690 0.75 SCN4A (0.37) CYP2A6
SCHEMBL23301641 0.75 CYP2A6 (0.31) CYP2A6
SCHEMBL12480416 0.75 CCR5 (0.36) CYP2A6
SCHEMBL3673507 0.75 CYP2A6 (0.35) CYP2A6ALDH1A1CYP1A2ALOX15CASP7
Hydrochloric Acid SCHEMBL18953222 0.73 CCR5 (0.35) CYP2A6
SCHEMBL16550078 0.71 CYP3A4 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 US disclosed
WO-2021084265-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 (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-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 CYP2A6 4076/4885ALDH1A1 4190/4885CYP1A2 2440/4885

“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.