SCHEMBL16184573

SCHEMBL16184573

COc1cc(-c2cccc(F)c2F)cc2c(NC3CCCC3C(N)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.40
▸ GBA1 P04062 10/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ GMNN O75496 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35

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
SCHEMBL16184494 0.94 GBA1 (0.42) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184633 0.90 DYRK1A (0.40) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184602 0.90 DYRK1A (0.40) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184520 0.89 GBA1 (0.41) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL14474167 0.89 GBA1 (0.42) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184658 0.89 GBA1 (0.42) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184686 0.88 ABCB1 (0.41) DYRK1AGBA1MKNK1MKNK2LMNA
SCHEMBL16184565 0.85 GBA1 (0.50) GBA1LMNAMAPTSMN1; SMN2CYP11B1
SCHEMBL14475095 0.85 GBA1 (0.47) GBA1
SCHEMBL16184561 0.85 GBA1 (0.52) GBA1CYP1A2CYP3A4EHMT2EHMT1

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 DYRK1A 594/4885GBA1 1316/4885MKNK1 537/4885

“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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