SCHEMBL16183434

SCHEMBL16183434

CNc1nc(-c2cnccn2)nc2cc(-c3ccc(OC)c(OC)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 12/20 0.45
▸ ABCB1 P08183 8/20 0.45
▸ ABCC1 P33527 3/20 0.44
▸ LATS1 O95835 1/20 0.43
▸ LATS2 Q9NRM7 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL16183429 0.88 SYK (0.52) ABCG2ABCB1ABCC1LATS1LATS2
SCHEMBL16183433 0.87 CYP1A2 (0.44) ABCG2ABCB1LATS1LATS2SMN1; SMN2
SCHEMBL16183435 0.87 SYK (0.46) ABCG2ABCB1LATS1LATS2SMN1; SMN2
SCHEMBL16183432 0.87 DHFR (0.48) ABCG2ABCB1ABCC1LATS1LATS2
SCHEMBL16183427 0.86 CYP1A2 (0.54) ABCG2ABCB1LATS1LATS2SMN1; SMN2
SCHEMBL16183428 0.85 CYP1A2 (0.52) ABCG2ABCB1SMN1; SMN2MAPTTP53
SCHEMBL16183431 0.85 SYK (0.44) ABCG2ABCB1LATS1LATS2SMN1; SMN2
SCHEMBL16184164 0.84 CYP1A2 (0.55) LATS1LATS2SMN1; SMN2MAPTTP53
SCHEMBL16184179 0.84 LATS1 (0.46) LATS1LATS2SMN1; SMN2MAPTTP53
SCHEMBL16183728 0.84 LATS1 (0.46) LATS1LATS2SMN1; SMN2MAPTTP53

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 ABCG2 1597/4885ABCB1 3803/4885ABCC1 3649/4885

“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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