SCHEMBL16183651

SCHEMBL16183651

c1ccc(CNc2nc(-c3ccnnc3)nc3ccc(-c4cncnc4)cc23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.56
▸ JAK2 O60674 3/20 0.56
▸ LCK P06239 3/20 0.56
▸ LYN P07948 3/20 0.56
▸ CDK2 P24941 3/20 0.56
▸ TYK2 P29597 3/20 0.56
▸ GSK3B P49841 3/20 0.56
▸ BMX P51813 3/20 0.56
▸ JAK3 P52333 3/20 0.56
▸ BTK Q06187 3/20 0.56
▸ ITK Q08881 3/20 0.56
▸ IRAK4 Q9NWZ3 3/20 0.56
▸ TXK P42681 2/20 0.56
▸ NR2C2 P49116 2/20 0.56
▸ IRAK1 P51617 2/20 0.56
▸ AURKB Q96GD4 2/20 0.56
▸ TBK1 Q9UHD2 2/20 0.56
▸ TEK Q02763 2/20 0.56
▸ PDE5A O76074 8/20 0.55
▸ KCNH2 Q12809 5/20 0.51

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
SCHEMBL16183646 0.87 PDE5A (0.54) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183645 0.86 PDE5A (0.60) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183711 0.85 KCNA5 (0.66) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183650 0.85 PDE5A (0.53) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183652 0.82 PDE5A (0.51) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183649 0.82 PDE5A (0.51) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183648 0.82 PDE5A (0.51) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183708 0.81 PDE5A (0.68) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183935 0.80 PDE5A (0.67) KCNA5JAK2LCKLYNCDK2
SCHEMBL16183714 0.80 PDE5A (0.67) KCNA5PDE5AKCNH2GBA1KDM4E

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 KCNA5 4457/4885JAK2 1714/4885LCK 291/4885

“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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