SCHEMBL13404551

SCHEMBL13404551

COc1cc2ncnc(Nc3cc(Cl)ccc3CN(C)CC3OCCO3)c2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.49
▸ SRC P12931 1/20 0.48
▸ KDR P35968 10/20 0.47
▸ EPHA2 P29317 6/20 0.47
▸ EPHB4 P54760 5/20 0.47
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ FGFR1 P11362 2/20 0.46
▸ FLT1 P17948 2/20 0.46
▸ FLT4 P35916 2/20 0.46
▸ EPHB2 P29323 1/20 0.46
▸ RET P07949 2/20 0.46
▸ KIF5B P33176 2/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL535909 0.88 KDR (0.53) EGFRSRCKDREPHA2EPHB4
SCHEMBL10290554 0.88 KDR (0.49) EGFRSRCKDREPHA2EPHB4
SCHEMBL13438440 0.84 EGFR (0.52) EGFRSRCKDRRAF1BRAF
SCHEMBL13404552 0.82 KDR (0.48) EGFRKDREPHA2EPHB4FGFR1
SCHEMBL13404542 0.80 EGFR (0.56) EGFRSRCKDRRAF1BRAF
SCHEMBL535303 0.79 EGFR (0.59) EGFRSRCKDRRAF1BRAF
SCHEMBL3958826 0.75 EGFR (0.62) EGFRSRCKDRRAF1BRAF
SCHEMBL535885 0.73 EGFR (0.51) EGFRSRCKDRRAF1BRAF
SCHEMBL13310097 0.73 RET (0.47) EGFRSRCKDREPHB2RET
SCHEMBL535218 0.73 KDR (0.53) EGFRSRCKDRRAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 — — US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 — — US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 — — 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 (3 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1731/4885SRC 3040/4885KDR 2523/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885SRC 3215/4885KDR 2393/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885SRC 2917/4885KDR 2189/4885

“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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