SCHEMBL16186407

SCHEMBL16186407

CNc1nc(-c2cnccn2)nc2c(OC)cc(-c3cccc(C#N)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.45
▸ CYP3A4 P08684 10/20 0.45
▸ CYP2C19 P33261 8/20 0.45
▸ CLK4 Q9HAZ1 8/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ KIT P10721 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ CYP2D6 P10635 7/20 0.40
▸ USP2 O75604 6/20 0.40
▸ TSHR P16473 6/20 0.40
▸ CYP2C9 P11712 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ NEK1 Q96PY6 1/20 0.38

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
SCHEMBL16186355 0.90 KIT (0.41) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16186295 0.88 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184377 0.88 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184196 0.87 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184206 0.87 KIT (0.40) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184203 0.86 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184207 0.86 MAP4K4 (0.43) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL16184183 0.86 KIT (0.41) KITBRAFABCG2SCN9A
SCHEMBL16184213 0.82 KIT (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL16184204 0.82 SYK (0.43) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1

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 1 patent. 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

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 4456/4885CYP2C19 3815/4885

“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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