SCHEMBL21427702

SCHEMBL21427702

c1ccc2c(c1)c1cnccc1p2-p1c2ccncc2c2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAD52 P43351 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAOA P21397 6/20 0.39
▸ MAOB P27338 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39

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
SCHEMBL21427709 1.00 ACHE (0.44) ACHEKDM4EHTTRAD52POLB
SCHEMBL21427720 1.00 ACHE (0.44) ACHEKDM4EHTTRAD52POLB
SCHEMBL22866145 0.89 KDM4E (0.45) ACHEKDM4EHTTRAD52POLB
SCHEMBL21428102 0.89 KDM4E (0.45) ACHEKDM4EHTTRAD52POLB
SCHEMBL22866146 0.89 KDM4E (0.45) ACHEKDM4EHTTRAD52POLB
SCHEMBL21427701 0.89 ACHE (0.37) ACHEKDM4EHTTRAD52POLB
SCHEMBL22866367 0.88 CYP11B1 (0.38) ACHEKDM4EHTTRAD52POLB
SCHEMBL22866368 0.88 MAPT (0.37) ACHEKDM4EHTTRAD52POLB
SCHEMBL21427775 0.76 ALDH1A1 (0.39) ACHEKDM4EHTTMAOAMAOB
SCHEMBL21427703 0.71 HSP90AA1 (0.46) KDM4EHTTALDH1A1IDO1SMN1; SMN2

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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2021-01-07 — — US disclosed
WO-2019183716-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2019-10-03 — — 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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF CDS2, PLCG2, PHOSPHO1 ACHE 378/4885KDM4E 1131/4885HTT 4038/4885

“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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