SCHEMBL16183657

SCHEMBL16183657

Fc1ccc(-c2ccc3nc(-c4cccnc4)nc(NCCc4ccccn4)c3c2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 10/20 0.67
▸ PDE5A O76074 7/20 0.57
▸ POLB P06746 1/20 0.49
▸ KCNA5 P22460 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL16183658 0.93 GBA1 (0.67) GBA1PDE5APOLBKCNA5KCNH2
SCHEMBL16183655 0.92 GBA1 (0.71) GBA1PDE5AKCNA5KCNH2ALDH1A1
SCHEMBL14474517 0.91 PDE5A (0.64) GBA1PDE5APOLBKCNA5KCNH2
SCHEMBL16183656 0.91 GBA1 (0.74) GBA1PDE5APOLBALDH1A1LMNA
SCHEMBL16183654 0.89 GBA1 (0.72) GBA1PDE5APOLBKCNA5KCNH2
SCHEMBL14474100 0.86 PDE5A (0.61) GBA1PDE5APOLBALDH1A1LMNA
SCHEMBL16183660 0.84 GBA1 (0.74) GBA1PDE5APOLBALDH1A1LMNA
SCHEMBL14727823 0.84 PDE5A (0.62) GBA1PDE5APOLBALDH1A1LMNA
SCHEMBL14727599 0.83 PDE5A (0.57) GBA1PDE5APOLBALDH1A1LMNA
SCHEMBL16183945 0.83 PDE5A (0.62) GBA1PDE5APOLBKCNA5KCNH2

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 1316/4885PDE5A 704/4885POLB 2309/4885

“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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