SCHEMBL1954555

SCHEMBL1954555

C#CCn1c(=O)[nH]c2nc(/C=C/c3ccccc3)[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 5/20 0.53
▸ ADORA3 P0DMS8 3/20 0.53
▸ ADORA2A P29274 1/20 0.42
▸ MAOB P27338 1/20 0.41

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
SCHEMBL1954556 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AMAOB
SCHEMBL14142760 0.72 ADORA2B (0.57) ADORA2BADORA3ADORA2A
SCHEMBL561427 0.69 ADORA2B (0.55) ADORA2B
SCHEMBL561426 0.69 ADORA2B (0.55) ADORA2B
SCHEMBL18113976 0.67 ADORA2B (0.48) ADORA2BADORA3ADORA2A
SCHEMBL7396869 0.67 KDM4E (0.62) ADORA2BADORA2A
SCHEMBL7396871 0.67 KDM4E (0.62) ADORA2BADORA2A
SCHEMBL3423318 0.66 ADORA2B (1.00) ADORA2BADORA3ADORA2A
SCHEMBL4636767 0.66 ADORA2B (0.56) ADORA2BADORA3ADORA2AMAOB
SCHEMBL8118096 0.66 ADORA2A (0.63) ADORA2BADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 — — US disclosed
EP-4229059-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2023-08-23 — — EP disclosed
WO-2022079245-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2022-04-21 — — WO disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 — — EP disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 — — US disclosed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 — — EP disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 — — WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 — — US 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 ADORA2B 262/4885ADORA3 150/4885ADORA2A 207/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 ADORA2B 589/4885ADORA3 680/4885ADORA2A 886/4885

“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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