SCHEMBL13549233

SCHEMBL13549233

C#Cc1cccc(Nc2ncnc3cc(-n4ccn(CCCN5CCCC5=O)c4=O)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.49
▸ GAK O14976 3/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ BUB1 O43683 2/20 0.44
▸ STK10 O94804 2/20 0.44
▸ MAP3K1 Q13233 2/20 0.44
▸ PIP4K2C Q8TBX8 2/20 0.44
▸ SLK Q9H2G2 2/20 0.44
▸ CARS1 P49589 1/20 0.44
▸ ERBB2 P04626 3/20 0.43
▸ ERBB4 Q15303 2/20 0.43
▸ FBP1 P09467 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PLK4 O00444 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ EPHB6 O15197 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ DAPK3 O43293 1/20 0.41

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
SCHEMBL13549156 0.94 EGFR (0.49) EGFRGAKERBB2ERBB4FBP1
SCHEMBL13514655 0.88 ALDH1A1 (0.48) EGFRERBB2ALDH1A1MAPTLMNA
SCHEMBL13549168 0.87 EGFR (0.52) EGFRGAKRIPK2BUB1STK10
SCHEMBL13549188 0.84 EGFR (0.53) EGFRGAKRIPK2BUB1STK10
SCHEMBL13549187 0.83 FBP1 (0.48) EGFRGAKRIPK2BUB1STK10
SCHEMBL13549214 0.83 EGFR (0.45) EGFRGAKRIPK2BUB1STK10
SCHEMBL1766099 0.83 FBP1 (0.49) EGFRGAKRIPK2BUB1STK10
SCHEMBL13514771 0.82 ALDH1A1 (0.48) EGFRERBB2ALDH1A1MAPTLMNA
SCHEMBL13514769 0.81 EGFR (0.54) EGFRGAKRIPK2BUB1STK10
SCHEMBL13549100 0.79 FBP1 (0.46) EGFRGAKRIPK2BUB1STK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 — — US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 — — US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 — — US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 — — 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 (2 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-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885GAK 493/4885RIPK2 1407/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885GAK 493/4885RIPK2 1407/4885

“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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