SCHEMBL13310083

SCHEMBL13310083

CCOC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(Br)cc1Nc1ncnc2cc(OC)c(OCCCNCCCN3CCOCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.53
▸ AURKA O14965 2/20 0.53
▸ KDR P35968 11/20 0.51
▸ EGFR P00533 7/20 0.51
▸ BRAF P15056 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49

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
SCHEMBL13310085 0.93 AURKA (0.54) SRCAURKAKDREGFRFGFR1
SCHEMBL13310077 0.81 HDAC3 (0.51) KDR
SCHEMBL13310048 0.77 EGFR (0.58) SRCAURKAKDREGFRBRAF
SCHEMBL13310075 0.77 KDR (0.47) SRCKDREGFR
SCHEMBL13310076 0.76 KDR (0.45) KDREGFR
SCHEMBL13310049 0.74 EGFR (0.61) SRCAURKAKDREGFRBRAF
SCHEMBL7867160 0.73 KDR (0.83) SRCKDREGFRBRAFFGFR1
Hydrochloric Acid SCHEMBL7866060 0.72 KDR (0.84) SRCKDREGFRBRAFFGFR1
SCHEMBL14421405 0.72 AURKA (0.63) SRCAURKAKDREGFRBRAF
SCHEMBL14421407 0.72 SRC (0.64) SRCAURKAKDREGFRBRAF

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
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2019-02-19 — — US disclosed
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 — — US disclosed
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 — — US disclosed
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 — — US disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 — — US disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 — — 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 (4 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-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 SRC 3378/4885AURKA 3212/4885KDR 2610/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 SRC 3158/4885AURKA 2568/4885KDR 2757/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 SRC 3378/4885AURKA 3212/4885KDR 2610/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 SRC 3378/4885AURKA 3212/4885KDR 2610/4885

“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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