SCHEMBL21497068

SCHEMBL21497068

COC(=O)c1ccc(Nc2nc(N)c3c(Cl)cccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ RORC P51449 3/20 0.50
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ ROCK1 Q13464 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL13227847 0.75 KMT2A (0.78) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL21497069 0.73 JAK1 (0.41) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL25286559 0.72 CSNK2A1 (0.49) MEN1KMT2AMAPTTP53TYK2
SCHEMBL21497067 0.70 MAPT (0.46) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL16687952 0.70 KMT2A (0.69) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL12709363 0.70 MEN1 (0.61) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL13955869 0.69 KMT2A (0.72) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL699073 0.68 KMT2A (0.58) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL5223547 0.68 TP53 (0.72) MEN1KMT2AKDM4EHPGDRXFP1

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 MEN1 4835/4885KMT2A 3415/4885KDM4E 3881/4885

“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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