SCHEMBL30555513

SCHEMBL30555513

COc1nn(C)cc1Nc1nn(C(C)C)c2ccc(C(C)(C)O)cc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ P2RX7 Q99572 5/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ RORC P51449 8/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ KDM4C Q9H3R0 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
SCHEMBL26124399 1.00 CYP11B1 (0.34) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL23248470 0.94 P2RX7 (0.33) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL26122403 0.92 P2RX7 (0.34) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL30555465 0.92 P2RX7 (0.34) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL30555510 0.87 KDM4C (0.39) CYP11B1CYP11B2P2RX7LRRK2RORC
SCHEMBL23248496 0.87 KDM4C (0.39) CYP11B1CYP11B2P2RX7LRRK2RORC
SCHEMBL30555512 0.86 PTK6 (0.33) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL26121314 0.86 PTK6 (0.33) CYP11B1CYP11B2P2RX7PTK6LRRK2
SCHEMBL30555527 0.85 SYK (0.34) P2RX7KDM4C
SCHEMBL26122222 0.85 SYK (0.34) P2RX7KDM4C

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-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 — — US disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 — — 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-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA CYP11B1 1979/4885CYP11B2 2508/4885P2RX7 3873/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA CYP11B1 1979/4885CYP11B2 2508/4885P2RX7 3873/4885

“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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