SCHEMBL16184455

SCHEMBL16184455

CNc1nc(-c2cccnc2)nc2c(OCCOC)cc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ PDPK1 O15530 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL14359374 0.87 CYP1A2 (0.53) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184959 0.85 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185071 0.85 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184931 0.84 ABCG2 (0.44) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185098 0.83 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184900 0.83 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184987 0.82 CYP1A2 (0.41) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL14359101 0.82 CYP1A2 (0.41) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185017 0.82 CYP11B1 (0.42) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16183579 0.82 CYP1A2 (0.49) CYP1A2CYP3A4HSD17B10CLK4CYP2D6

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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