SCHEMBL16184618

SCHEMBL16184618

COc1cc(-c2cc(F)ccc2F)cc2c(NC3CCCCC3)nc(-c3cccnc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 15/20 0.51
▸ PDE7A Q13946 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41
▸ EHMT1 Q9H9B1 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL16184622 0.96 GBA1 (0.49) GBA1EHMT2EHMT1MEN1KMT2A
SCHEMBL16184590 0.93 GBA1 (0.51) GBA1PDE7APDE7BEHMT2EHMT1
SCHEMBL16184481 0.92 GBA1 (0.56) GBA1PDE7APDE7BMEN1HSP90AA1
SCHEMBL16184535 0.91 GBA1 (0.55) GBA1PDE7APDE7BEHMT2EHMT1
SCHEMBL16184561 0.89 GBA1 (0.52) GBA1PDE7APDE7BEHMT2EHMT1
SCHEMBL16184509 0.89 GBA1 (0.53) GBA1PDE7APDE7BABCB1ABCG2
SCHEMBL16184593 0.89 GBA1 (0.49) GBA1EHMT2EHMT1MEN1KMT2A
SCHEMBL16184646 0.89 GBA1 (0.55) GBA1PDE7APDE7BEHMT2EHMT1
SCHEMBL16184675 0.88 GBA1 (0.52) GBA1PDE7APDE7BEHMT2EHMT1
SCHEMBL16184484 0.88 GBA1 (0.54) GBA1MEN1KMT2AABCB1ABCG2

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 1316/4885PDE7A 366/4885PDE7B 362/4885

“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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