SCHEMBL14474187

SCHEMBL14474187

CNc1nc(-c2cnccn2)nc2c(OC)cc(-c3cc(F)cc(F)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.38
▸ KIT P10721 1/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MAP3K11 Q16584 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ LIMK2 P53671 2/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL14474183 0.93 KIT (0.39) SCN9AKITP2RX7MAP3K11KDM4E
SCHEMBL16184183 0.91 KIT (0.41) SCN9AKITGRM5TGFBR1ABCG2
SCHEMBL16185168 0.90 CHRNA7 (0.37) SCN9AKITP2RX7GRM5LMNA
SCHEMBL16184191 0.88 PDGFRB (0.39) SCN9AMAP3K11KDM4EALDH1A1LMNA
SCHEMBL16184368 0.88 GRM5 (0.38) GRM5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184225 0.87 LIMK1 (0.35) LIMK1LIMK2TESK1TESK2LATS1
SCHEMBL16184203 0.87 CYP1A2 (0.42) KITKDM4EALDH1A1LMNACYP1A2
SCHEMBL16184213 0.86 KIT (0.38) KITKDM4EALDH1A1LMNACYP1A2
SCHEMBL16184204 0.86 SYK (0.43) KITALDH1A1LMNACYP1A2CYP3A4
SCHEMBL14358650 0.86 MAP3K11 (0.38) SCN9AKITMAP3K11KDM4EALDH1A1

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 3 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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 3217/4885KIT 3161/4885P2RX7 2358/4885

“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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