SCHEMBL13310097

SCHEMBL13310097

COc1cc2ncnc(Nc3cc(Br)ccc3CN(C)CCCCCO)c2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.47
▸ KDR P35968 11/20 0.47
▸ KIF5B P33176 8/20 0.47
▸ EGFR P00533 8/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SRC P12931 1/20 0.43

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
SCHEMBL535332 0.82 RET (0.48) RETKDRKIF5BEGFRABCG2
SCHEMBL13310109 0.80 EGFR (0.53) RETKDRKIF5BEGFRABCG2
SCHEMBL13310095 0.80 HDAC3 (0.48) RETKDRKIF5BEGFR
SCHEMBL13438440 0.76 EGFR (0.52) RETKDRKIF5BEGFRSRC
SCHEMBL13485446 0.75 KDR (0.50) RETKDRKIF5BEGFRSRC
SCHEMBL5241456 0.73 KDR (0.83) RETKDRKIF5BEGFRABCG2
SCHEMBL13404551 0.73 EGFR (0.49) RETKDRKIF5BEGFRSRC
SCHEMBL535258 0.72 EGFR (0.52) RETKDRKIF5BEGFRABCG2
SCHEMBL535885 0.71 EGFR (0.51) RETKDRKIF5BEGFRSRC
SCHEMBL13404542 0.71 EGFR (0.56) RETKDRKIF5BEGFRSRC

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 9 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-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-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-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 RET 1558/4885KDR 2610/4885KIF5B 3765/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 RET 1211/4885KDR 2757/4885KIF5B 3696/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 RET 1558/4885KDR 2610/4885KIF5B 3765/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 RET 1558/4885KDR 2610/4885KIF5B 3765/4885

“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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