SCHEMBL23409303

SCHEMBL23409303

Nc1c(Br)cc(Br)c2c(Br)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.58
CASP6 P55212 1/20 0.46
CTSB P07858 1/20 0.42
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TYMS P04818 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA9 Q16790 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
PRNP P04156 1/20 0.31
PARP1 P09874 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
SCHEMBL29940073 0.82 HKDC1 (0.53) HKDC1CASP6CTSBGAAMAPT
SCHEMBL23043385 0.82 HKDC1 (0.58) HKDC1CASP6CTSBGAAMAPT
SCHEMBL29418744 0.82 HKDC1 (0.58) HKDC1CASP6CTSBGAAMAPT
SCHEMBL23043391 0.82 HKDC1 (0.53) HKDC1CASP6CTSBGAAMAPT
SCHEMBL25996486 0.77 HKDC1 (0.49) HKDC1CASP6CTSBGAAMAPT
SCHEMBL30259983 0.77 HKDC1 (0.49) HKDC1CASP6CTSBGAAMAPT
SCHEMBL26059203 0.75 CTSB (0.64) HKDC1CASP6CTSBGAAMAPT
SCHEMBL25822375 0.75 HKDC1 (0.46) HKDC1CASP6CTSB
SCHEMBL30064912 0.75 CTSB (0.55) HKDC1CASP6CTSBGAAMAPT
SCHEMBL4880191 0.75 CTSB (0.55) HKDC1CASP6CTSBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO LTD (JP) 2024-09-26 US disclosed
CN-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN disclosed
EP-4347041-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Taiho Pharmaceutical Co., Ltd. (JP) 2024-04-10 EP disclosed
CN-117769554-A Small molecule inhibitors of KRAS muteins 大鹏药品工业株式会社 2024-03-26 CN disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
WO-2022250170-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-12-01 WO disclosed
EP-4065583-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 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-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS KRAS, NRAS, HRAS HKDC1 2852/4885CASP6 3403/4885CTSB 1837/4885
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS HKDC1 2011/4885CASP6 2767/4885CTSB 1642/4885

“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.