SCHEMBL13485511

SCHEMBL13485511

COc1cc2ncnc(Nc3c(CN(CCCCCCl)C(=O)OCc4ccccc4)cc(Oc4ccc(C)nc4)c4c3OCO4)c2cc1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.38
▸ ERBB2 P04626 4/20 0.38
▸ SRC P12931 8/20 0.37
▸ KDR P35968 7/20 0.37
▸ CSK P41240 3/20 0.35
▸ TEK Q02763 3/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ ERBB4 Q15303 2/20 0.35
▸ RET P07949 1/20 0.34
▸ KIF5B P33176 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ EPHB2 P29323 1/20 0.34
▸ PDGFRB P09619 1/20 0.34

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
SCHEMBL13485512 0.93 EGFR (0.39) EGFRERBB2SRCKDRERBB4
SCHEMBL13485492 0.88 EGFR (0.41) EGFRERBB2SRCKDRCSK
SCHEMBL13485435 0.87 KDR (0.46) EGFRERBB2SRCKDRCSK
SCHEMBL13485489 0.83 EGFR (0.41) EGFRERBB2SRCKDRCSK
SCHEMBL13485434 0.82 SRC (0.44) EGFRERBB2SRCKDRCSK
SCHEMBL13485493 0.80 EGFR (0.42) EGFRERBB2SRCKDRERBB4
SCHEMBL13485436 0.79 SRC (0.43) EGFRSRCKDRCSKTEK
SCHEMBL13485510 0.73 CCR6 (0.35) —
SCHEMBL13485509 0.73 CCR6 (0.34) —
SCHEMBL13500131 0.68 SRC (0.47) EGFRERBB2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044084-B1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 — — US disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 — — US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 — — US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 — — US disclosed
WO-2008006884-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-17 — — 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-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES NR4A3, NR4A1, NR5A2 EGFR 1555/4885ERBB2 754/4885SRC 1853/4885

“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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