SCHEMBL16184494

SCHEMBL16184494

COc1cc(-c2ccccc2F)cc2c(NC3CCCC3C(N)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 12/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GMNN O75496 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL16184573 0.94 DYRK1A (0.40) GBA1DYRK1ACYP11B1CYP11B2MKNK1
SCHEMBL16184602 0.93 DYRK1A (0.40) GBA1DYRK1ACYP11B1CYP11B2MKNK1
SCHEMBL16184633 0.93 DYRK1A (0.40) GBA1DYRK1ACYP11B1CYP11B2MKNK1
SCHEMBL16184658 0.90 GBA1 (0.42) GBA1DYRK1AMKNK1MKNK2LMNA
SCHEMBL14474167 0.90 GBA1 (0.42) GBA1DYRK1AMKNK1MKNK2LMNA
SCHEMBL16184686 0.90 ABCB1 (0.41) GBA1DYRK1AMKNK1MKNK2LMNA
SCHEMBL16184520 0.89 GBA1 (0.41) GBA1DYRK1AMKNK1MKNK2LMNA
SCHEMBL16184484 0.85 GBA1 (0.54) GBA1CYP11B1CYP11B2LMNAMAPT
SCHEMBL16184481 0.84 GBA1 (0.56) GBA1CYP1A2CYP3A4
SCHEMBL16184493 0.82 GBA1 (0.46) GBA1DYRK1ACYP11B1CYP11B2LMNA

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB GBA1 1316/4885DYRK1A 594/4885CYP11B1 2235/4885

“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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