SCHEMBL8897424

SCHEMBL8897424

Nc1nc(Cl)nc2ccc(Br)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
ADRB2 P07550 1/20 0.54
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
NT5E P21589 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BACE1 P56817 2/20 0.43
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
PABPC1 P11940 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.41
MPO P05164 1/20 0.40

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
SCHEMBL29623910 1.00 HTT (1.00) HTTADRB2BCHEACHEGRIN1
SCHEMBL29663118 0.85 HTT (0.74) HTTADRB2BCHEACHEGRIN1
SCHEMBL19876615 0.85 HTT (0.74) HTTADRB2BCHEACHEGRIN1
SCHEMBL29441517 0.81 HTT (0.68) HTTBCHEACHEGRIN1GRIN2A
SCHEMBL4358438 0.81 HTT (0.68) HTTADRB2PABPC1ADORA2A
SCHEMBL21500731 0.81 HTT (0.68) HTTBCHEACHEGRIN1GRIN2A
SCHEMBL182719 0.81 HTT (0.68) HTTBCHEACHEGRIN1GRIN2A
SCHEMBL29649743 0.81 HTT (0.68) HTTADRB2PABPC1ADORA2A
SCHEMBL30973214 0.79 HTT (0.65) HTTADRB2BCHEACHEGRIN1
SCHEMBL3778992 0.78 HTT (0.64) HTTBCHEACHEGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240086-A1 COMPOUND FOR REGULATING AND CONTROLLING 15-PGDH ACTIVITY AND PREPARATION METHOD THEREFOR 成都倍特药业股份有限公司 2024-11-28 WO disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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 (1 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-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B HTT 4394/4885ADRB2 2/4885BCHE 1701/4885

“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.