SCHEMBL16185131

SCHEMBL16185131

CNc1nc(-c2ccncn2)nc2c(OC)cc(-c3cccc(F)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ KIT P10721 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL16185162 0.92 SCN9A (0.40) SCN9ACYP3A4KITABCG2ALDH1A1
SCHEMBL14474191 0.91 GRM5 (0.44) SCN9ACYP3A4MAP4K4KITLMNA
SCHEMBL14474189 0.90 SCN9A (0.40) SCN9ACYP3A4MAP4K4KITPDGFRB
SCHEMBL16185130 0.88 ABCG2 (0.45) CYP3A4MAP4K4KITPDGFRBPDGFRA
SCHEMBL16184183 0.86 KIT (0.41) SCN9AMAP4K4KITPDGFRBPDGFRA
SCHEMBL16185132 0.86 KIT (0.43) SCN9ACYP3A4MAP4K4KITPDGFRB
SCHEMBL14474677 0.86 SCN9A (0.43) SCN9ACYP3A4KITRAF1BRAF
SCHEMBL16185152 0.86 SCN9A (0.42) SCN9ACYP3A4KITALDH1A1LMNA
SCHEMBL14474676 0.85 SCN9A (0.43) SCN9ACYP3A4RAF1BRAFALDH1A1
SCHEMBL14475254 0.85 CYP1A2 (0.43) SCN9ACYP3A4ALDH1A1LMNACYP1A2

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 SCN9A 3217/4885CYP3A4 4456/4885MAP4K4 635/4885

“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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