SCHEMBL16323079

SCHEMBL16323079

CC(Nc1[nH]c(=O)n(C(C)C)c(=O)c1Cl)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 11/20 0.44
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ OGA O60502 2/20 0.36
▸ ACACB O00763 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL16323078 1.00 PDE2A (0.44) PDE2ACYP3A4CYP2B6GPR55OGA
SCHEMBL16324266 0.83 CYP3A4 (0.60) PDE2ACYP3A4CYP2B6GPR55OGA
SCHEMBL16324269 0.83 CYP3A4 (0.60) PDE2ACYP3A4CYP2B6GPR55OGA
SCHEMBL21667386 0.80 P2RX3 (0.39) PDE2AP2RX3SMN1; SMN2
SCHEMBL16321659 0.70 CYP3A4 (0.48) CYP3A4CYP2B6P2RX3SMN1; SMN2PGR
SCHEMBL16321660 0.70 CYP3A4 (0.48) CYP3A4CYP2B6P2RX3SMN1; SMN2PGR
SCHEMBL20901313 0.68 PDE2A (0.48) PDE2AGPR55OGAACACB
SCHEMBL27046445 0.68 PDE2A (0.48) PDE2AGPR55OGAACACB
SCHEMBL24469466 0.67 OGA (0.39) CYP3A4CYP2B6OGA
SCHEMBL879006 0.67 GPR55 (0.45) PDE2AGPR55OGAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (7 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 PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD PDE2A 1079/4885CYP3A4 2600/4885CYP2B6 1992/4885

“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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