SCHEMBL21050679

SCHEMBL21050679

Cc1c(N)ccc(Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 10/20 0.46
TSHR P16473 8/20 0.46
PIK3CA P42336 1/20 0.46
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 2/20 0.36
CD44 P16070 1/20 0.36
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
ADORA2A P29274 1/20 0.31
IKBKB O14920 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
SCHEMBL31636541 1.00 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL10989519 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL15218472 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL27982658 0.79 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL3971917 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL29566675 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL21459542 0.75 NCEH1 (0.37) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL4975220 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7209297 0.75 TSHR (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL11026968 0.75 TSHR (0.39) ALDH1A1CYP3A4TSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
WO-2025064567-A1 TRICYCLIC PHENOLS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2025-03-27 WO disclosed
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
WO-2021150613-A1 SPIRO COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2021-07-29 WO disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 ALDH1A1 26/4885CYP3A4 322/4885TSHR 2965/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 ALDH1A1 26/4885CYP3A4 322/4885TSHR 2965/4885

“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.