SCHEMBL29302580

SCHEMBL29302580

O=C(Nc1cc(NCc2nc3ncc(C4CC4)cn3n2)ccn1)[C@@H]1C[C@]12CCc1ccc(Cl)cc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ BRAF P15056 4/20 0.31
▸ TYK2 P29597 5/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ DEGS1 O15121 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
SCHEMBL29940293 1.00 KLKB1 (0.32) KLKB1PDE2APDE10APTGER4BRAF
SCHEMBL29879447 0.82 KLKB1 (0.38) KLKB1
SCHEMBL29302927 0.82 KLKB1 (0.38) KLKB1
SCHEMBL29302582 0.78 TYK2 (0.36) KLKB1TYK2JAK2JAK1JAK3
SCHEMBL29940369 0.78 TYK2 (0.36) KLKB1TYK2JAK2JAK1JAK3
SCHEMBL29940331 0.78 TYK2 (0.39) BRAFTYK2
SCHEMBL29302548 0.78 TYK2 (0.39) BRAFTYK2
SCHEMBL29302921 0.72 KLKB1 (0.40) KLKB1
SCHEMBL29302547 0.70 SLC6A2 (0.36) KLKB1
SCHEMBL29940405 0.68 KLKB1 (0.41) KLKB1BRAFTYK2ACVRL1

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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — 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 (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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KLKB1 1/4885PDE2A 1072/4885PDE10A 2674/4885

“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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