SCHEMBL16185037

SCHEMBL16185037

CNc1nc(-c2cccnc2)nc2c(OCCN3CCCCC3)cc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.42
▸ PIK3R1 P27986 2/20 0.42
▸ SRC P12931 1/20 0.40
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 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
SCHEMBL16185021 0.99 PIK3CA (0.42) PIK3CAPIK3R1SRCCYP11B1CYP11B2
SCHEMBL16185029 0.94 GSK3B (0.40) PIK3CAPIK3R1SRCCYP11B1CYP11B2
SCHEMBL16185064 0.94 PIK3CA (0.40) PIK3CAPIK3R1SRCCYP11B1CYP11B2
SCHEMBL16185051 0.93 PIK3CA (0.41) PIK3CAPIK3R1SRCCYP11B1CYP11B2
SCHEMBL16185018 0.92 CYP1A2 (0.46) PIK3CAPIK3R1CYP1A2CYP3A4CYP2D6
SCHEMBL16184925 0.92 SRC (0.41) PIK3CAPIK3R1SRCFLT1FLT4
SCHEMBL16184908 0.91 SRC (0.42) PIK3CAPIK3R1SRCCYP1A2CYP3A4
SCHEMBL16184981 0.91 PIK3R1 (0.41) PIK3CAPIK3R1SRCFLT1FLT4
SCHEMBL16184964 0.90 PIK3R1 (0.42) PIK3CAPIK3R1SRCFLT1FLT4
SCHEMBL16184953 0.90 WNT1 (0.42) PIK3CAPIK3R1SRCFLT1FLT4

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 PIK3CA 2052/4885PIK3R1 2389/4885SRC 1062/4885

“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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