SCHEMBL21497067

SCHEMBL21497067

Nc1nc(Nc2ccccc2O)nc2cccc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ GAA P10253 6/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ KMT2A Q03164 8/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PKM P14618 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ RAD52 P43351 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
SCHEMBL21497070 0.80 NPC1 (0.60) MAPTGAAKMT2AMEN1MAPK1
SCHEMBL5959497 0.72 GBA1 (0.51) MAPTGAAADORA1KMT2AMEN1
SCHEMBL9645145 0.71 GAA (0.55) MAPTGAAADORA1KMT2AMEN1
SCHEMBL3296650 0.71 BRAF (0.50) MAPTGAAADORA1KMT2AMEN1
SCHEMBL21497068 0.70 MEN1 (0.51) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL9646997 0.70 GAA (0.50) MAPTGAAADORA1KMT2AMEN1
SCHEMBL21497073 0.69 DHFR (0.49) GAAHTTDHFR
SCHEMBL8390061 0.69 DHFR (0.66) DHFR
SCHEMBL30912751 0.69 DHFR (0.66) DHFR
SCHEMBL22468070 0.68 TSHR (0.51) MAPTGAAADORA1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 2688/4885GAA 4302/4885ADORA1 220/4885

“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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