SCHEMBL13310077

SCHEMBL13310077

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 20/20 0.51
▸ HDAC4 P56524 20/20 0.51
▸ HDAC1 Q13547 20/20 0.51
▸ HDAC7 Q8WUI4 20/20 0.51
▸ HDAC2 Q92769 20/20 0.51
▸ HDAC10 Q969S8 20/20 0.51
▸ HDAC11 Q96DB2 20/20 0.51
▸ HDAC8 Q9BY41 20/20 0.51
▸ HDAC6 Q9UBN7 20/20 0.51
▸ HDAC9 Q9UKV0 20/20 0.51
▸ HDAC5 Q9UQL6 20/20 0.51
▸ KDR P35968 16/20 0.51

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
SCHEMBL13310075 0.89 KDR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13310076 0.88 KDR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13310083 0.81 SRC (0.53) KDR
SCHEMBL13310085 0.80 AURKA (0.54) KDR
SCHEMBL20752915 0.73 KDR (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20752916 0.73 KDR (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20752891 0.73 KDR (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13310046 0.71 KDR (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20752888 0.71 KDR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20752892 0.71 KDR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 193/4885HDAC4 1205/4885HDAC1 450/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 HDAC3 143/4885HDAC4 974/4885HDAC1 364/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 HDAC3 193/4885HDAC4 1205/4885HDAC1 450/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 HDAC3 193/4885HDAC4 1205/4885HDAC1 450/4885

“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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