SCHEMBL4901329

SCHEMBL4901329

Oc1ccc(Br)c2[nH]c3ccccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
CHEK1 O14757 4/20 0.53
CCNE2 O96020 5/20 0.47
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
CCNE1 P24864 5/20 0.47
CDK2 P24941 5/20 0.47
CAMK2B Q13554 4/20 0.47
CAMK2G Q13555 4/20 0.47
CAMK2D Q13557 4/20 0.47
CAMK2A Q9UQM7 4/20 0.47
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL29755092 0.85 CDK4 (0.51) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL28770596 0.85 CDK4 (0.51) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL3876965 0.79 IMPDH2 (0.55) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL22787315 0.79 CDK4 (0.47) CHEK1CCNE2CDK4CCND1CCNE1
SCHEMBL14198729 0.79 MEN1 (0.73) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL23926188 0.79 CDK4 (0.50) CHEK1CCNE2CDK4CCND1CCNE1
SCHEMBL5830117 0.79 CHEK1 (0.56) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL17094777 0.76 AR (0.58) IMPDH2IMPDH1MEN1MAPTKMT2A
SCHEMBL3889086 0.76 IMPDH2 (0.51) IMPDH2IMPDH1CHEK1CCNE2CDK4
SCHEMBL22079859 0.75 MAPT (0.59) CHEK1CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298185-B Heterocyclic compound and organic light-emitting element comprising same 株式会社LG化学 2024-06-18 CN disclosed
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-11 US disclosed
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-11 US disclosed
CN-115298185-A Heterocyclic compound and organic light-emitting element comprising same 株式会社LG化学 2022-11-04 CN disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed
WO-2005016885-A2 COMPOUNDS WITH COMBINED CALCIUM CHANNEL BLOCKER AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITIES FOR TREATMENT OF HEART DISEASE ARTESIAN THERAPEUTICS, INC. (US) 2005-02-24 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 (3 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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ADRB3, PDE3A, PDE3B IMPDH2 1535/4885IMPDH1 1577/4885CHEK1 3497/4885
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 IMPDH2 1730/4885IMPDH1 1334/4885CHEK1 3036/4885
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, AOX1 IMPDH2 1753/4885IMPDH1 1648/4885CHEK1 1551/4885

“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.