SCHEMBL16183539

SCHEMBL16183539

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.53
▸ CYP3A4 P08684 9/20 0.53
▸ HSD17B10 Q99714 7/20 0.53
▸ CLK4 Q9HAZ1 4/20 0.53
▸ USP2 O75604 4/20 0.53
▸ TP53 P04637 4/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 6/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ HPGD P15428 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ KCNA5 P22460 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPK1 P28482 4/20 0.45

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
SCHEMBL14475203 0.89 CYP1A2 (0.53) CYP1A2CYP3A4HSD17B10CLK4CYP2C9
SCHEMBL16183489 0.88 CYP3A4 (0.62) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL16183482 0.85 CYP1A2 (0.53) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14475213 0.85 CYP1A2 (0.59) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL16183551 0.84 CYP1A2 (0.58) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14475200 0.83 CYP1A2 (0.60) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14475128 0.83 CYP1A2 (0.57) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14474609 0.82 CYP1A2 (0.65) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14727583 0.82 CYP1A2 (0.61) CYP1A2CYP3A4HSD17B10CLK4USP2
SCHEMBL14475069 0.81 CYP1A2 (0.53) CYP1A2CYP3A4HSD17B10CLK4CYP2C9

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 CYP1A2 2971/4885CYP3A4 4456/4885HSD17B10 2670/4885

“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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