SCHEMBL23409342

SCHEMBL23409342

O=C(O)c1cc(O)cc2cccc(I)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.47
GFER P55789 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
CA6 P23280 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30118104 1.00 CDC25B (0.47) CDC25BGFERHSD17B10MEN1KMT2A
SCHEMBL30838597 0.85 ESR1 (0.40) CDC25BMEN1KMT2ACA12CA9
SCHEMBL2185926 0.84 CDC25B (0.56) CDC25BGFERHSD17B10MEN1KMT2A
SCHEMBL3390578 0.82 GRIN2D (0.51) CDC25BHSD17B10MEN1KMT2AGRIN2D
SCHEMBL29903129 0.81 IDO1 (0.43) HSD17B10MEN1KMT2AGRIN2DGRIN2A
SCHEMBL29903128 0.81 IDO1 (0.43) HSD17B10MEN1KMT2AGRIN2DGRIN2A
SCHEMBL23409308 0.81 IDO1 (0.43) HSD17B10MEN1KMT2AGRIN2DGRIN2A
SCHEMBL29937467 0.80 HSD17B10 (0.64) CDC25BHSD17B10MEN1KMT2AKDM4E
SCHEMBL1619337 0.80 HSD17B10 (0.64) CDC25BHSD17B10MEN1KMT2AKDM4E
SCHEMBL19202322 0.79 POLB (0.45) HSD17B10MEN1KMT2AGRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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 (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-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS CDC25B 471/4885GFER 4409/4885HSD17B10 3267/4885

“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.