SCHEMBL29958693

SCHEMBL29958693

O=C(CCc1cccc(Cl)c1)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.41
▸ METTL3 Q86U44 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB3 P21860 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37

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
SCHEMBL27033715 1.00 KLKB1 (0.41) KLKB1METTL3CSNK1DDGAT1EGFR
SCHEMBL24729616 0.88 MAPK1 (0.45) KLKB1METTL3DGAT1
SCHEMBL29957969 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL27033470 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29927020 0.86 KLKB1 (0.40) KLKB1METTL3DGAT1TSHRFSHR
SCHEMBL24729482 0.86 KLKB1 (0.40) KLKB1METTL3DGAT1TSHRFSHR
SCHEMBL24729565 0.85 KLKB1 (0.41) KLKB1METTL3DGAT1
SCHEMBL24729595 0.83 KLKB1 (0.41) KLKB1METTL3DGAT1
SCHEMBL29927164 0.83 KLKB1 (0.41) KLKB1METTL3DGAT1
SCHEMBL29136881 0.82 KLKB1 (0.42) KLKB1METTL3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885METTL3 4613/4885CSNK1D 1796/4885

“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.

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