SCHEMBL24529334

SCHEMBL24529334

COc1nc(-c2cccc([C@@H](C)N)c2)cn2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.52
▸ AURKA O14965 6/20 0.48
▸ SYK P43405 6/20 0.47
▸ CD63 P08962 1/20 0.47
▸ EPHB4 P54760 1/20 0.41
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 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
SCHEMBL27180949 1.00 HCRTR2 (0.52) HCRTR2AURKASYKCD63EPHB4
SCHEMBL29723747 0.88 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27180721 0.88 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529669 0.88 HCRTR2 (0.54) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27179921 0.87 HCRTR2 (0.53) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529314 0.87 HCRTR2 (0.53) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529266 0.84 HCRTR2 (0.55) HCRTR2AURKASYKCD63EPHB4
SCHEMBL27180734 0.84 HCRTR2 (0.55) HCRTR2AURKASYKCD63EPHB4
SCHEMBL29723771 0.84 HCRTR2 (0.56) HCRTR2AURKASYKCD63EPHB4
SCHEMBL24529309 0.82 HCRTR2 (0.53) HCRTR2AURKASYKCD63EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 — — EP disclosed
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 — — US disclosed
EP-4262788-A1 UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-25 — — EP disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — 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-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R HCRTR2 2/4885AURKA 4623/4885SYK 4422/4885

“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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