SCHEMBL2235642

SCHEMBL2235642

O=c1ccnc(Oc2ccccc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ LTA4H P09960 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ GPR84 Q9NQS5 2/20 0.38
▸ BRAF P15056 1/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.37
▸ NTRK1 P04629 1/20 0.37

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
SCHEMBL16910470 0.75 KDM4C (0.49) KDM4CL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1128388 0.72 — —
SCHEMBL1983146 0.71 NISCH (0.45) KDM4CNPC1ALDH1A1TAAR1LTA4H
SCHEMBL11603668 0.70 KDM4C (0.48) KDM4CLTA4HTSHRGPR84
SCHEMBL9909763 0.69 BRAF (0.53) BRAF
SCHEMBL9909765 0.69 BRAF (0.57) BRAF
SCHEMBL1133436 0.67 GAA (0.50) NPC1ALDH1A1TP53HPGDL3MBTL1
Diphenylether SCHEMBL8548398 0.67 LTA4H (0.44) NPC1HPGDLTA4HTSHRXDH
SCHEMBL17959987 0.66 TSHR (0.38) KMT2ALTA4HTSHRNTRK1NTRK3
SCHEMBL3518864 0.66 KDR (0.49) NPC1ALDH1A1L3MBTL1SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104292229-A 2-phenoxy pyrimidinone analogues NEUROGEN CORP 2015-01-21 — — CN disclosed
CN-104292229-A 2-phenoxy pyrimidinone analogues NEUROGEN CORP 2015-01-21 — — CN disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 — — US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 — — US disclosed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 — — EP disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 — — US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 — — US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 — — US disclosed
CN-101506210-A 2-Phenoxypyrimidinone analogs NEUROGEN CORP (US) 2009-08-12 — — CN disclosed
CN-101506210-A 2-Phenoxypyrimidinone analogs NEUROGEN CORP (US) 2009-08-12 — — CN disclosed
EP-2061794-A2 2-PHENOXY PYRIMIDINONE ANALOGUES Neurogen Corporation (US) 2009-05-27 — — EP disclosed
EP-2061794-A2 2-PHENOXY PYRIMIDINONE ANALOGUES Neurogen Corporation (US) 2009-05-27 — — EP disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 — — US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 — — US disclosed
WO-2008024438-A3 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2008-11-27 — — WO disclosed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 — — WO disclosed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 — — 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 (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-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR KDM4C 3426/4885NPC1 2715/4885ALDH1A1 920/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR KDM4C 3426/4885NPC1 2715/4885ALDH1A1 920/4885

“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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