SCHEMBL23131914

SCHEMBL23131914

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c(-c7ccccc7)nc6c5)ccc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.44
▸ NPY5R Q15761 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ CHEK2 O96017 2/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ HPGD P15428 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GFER P55789 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38

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
SCHEMBL23132039 0.88 NPY5R (0.43) PDE10ANPY5RNPC1RAB9AGAA
SCHEMBL23120186 0.87 NPY5R (0.46) PDE10ANPY5RNPC1RAB9AGAA
SCHEMBL29949115 0.87 NPY5R (0.46) PDE10ANPY5RNPC1RAB9AGAA
SCHEMBL10246753 0.84 MEN1 (0.41) NPY5RPTGER4HPGDKDM4EALDH1A1
SCHEMBL23120210 0.84 NPY5R (0.45) PDE10ANPY5RNPC1RAB9AGAA
SCHEMBL29949312 0.84 NPY5R (0.45) PDE10ANPY5RNPC1RAB9AGAA
SCHEMBL23132196 0.83 NPY5R (0.49) NPY5RNPC1RAB9AGAACHEK2
SCHEMBL11998330 0.83 NPY5R (0.39) NPY5RPTGER4HPGDKDM4EALDH1A1
SCHEMBL15197803 0.83 TSPO (0.42) NPY5RPTGER4HPGDKDM4EALDH1A1
SCHEMBL21965202 0.83 TSPO (0.42) NPY5RPTGER4HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-12-01 — — US disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 — — 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-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES KCNH1, NES, KCNC1 PDE10A 2957/4885NPY5R 3702/4885NPC1 3475/4885

“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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