SCHEMBL16321591

SCHEMBL16321591

COc1cccc(C(C)Nc2[nH]c(=O)n(C(C)C)c(=O)c2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ PFKFB3 Q16875 2/20 0.41
▸ CASR P41180 2/20 0.39
▸ IDH1 O75874 4/20 0.39
▸ ROCK2 O75116 7/20 0.39
▸ PRKG1 Q13976 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ROCK1 Q13464 4/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38

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
SCHEMBL16321590 1.00 CYP3A4 (0.43) CYP3A4CYP2B6PFKFB3CASRIDH1
SCHEMBL16322101 0.86 CYP3A4 (0.46) CYP3A4CYP2B6IDH1SMN1; SMN2POLB
SCHEMBL30509657 0.86 CYP3A4 (0.46) CYP3A4CYP2B6IDH1SMN1; SMN2POLB
SCHEMBL16322100 0.86 CYP3A4 (0.46) CYP3A4CYP2B6IDH1SMN1; SMN2POLB
SCHEMBL16321659 0.85 CYP3A4 (0.48) CYP3A4CYP2B6CASRIDH1SMN1; SMN2
SCHEMBL16321660 0.85 CYP3A4 (0.48) CYP3A4CYP2B6CASRIDH1SMN1; SMN2
SCHEMBL16321188 0.83 CYP3A4 (0.56) CYP3A4CYP2B6IDH1SMN1; SMN2POLB
SCHEMBL16321187 0.83 CYP3A4 (0.56) CYP3A4CYP2B6IDH1SMN1; SMN2POLB
SCHEMBL21667181 0.79 PDE9A (0.48) CDK1MEN1KMT2A
SCHEMBL16322842 0.78 CYP3A4 (0.71) CYP3A4CYP2B6PFKFB3CASRIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 — — EP disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 — — US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 — — US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US disclosed
EP-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2018-11-01 — — US disclosed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 — — US disclosed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 — — US disclosed
EP-3010910-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2016-04-27 — — EP disclosed
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-02-04 — — US disclosed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US disclosed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 — — 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 (8 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-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885PFKFB3 644/4885

“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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