Sugi Predict

Sugi Predict / Compounds / SCHEMBL13310046

SCHEMBL13310046

SCHEMBL13310046

CCOC(=O)CNC(=O)Cc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(OCCBr)cc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.56
▸ HDAC3 O15379 14/20 0.56
▸ HDAC4 P56524 14/20 0.56
▸ HDAC1 Q13547 14/20 0.56
▸ HDAC7 Q8WUI4 14/20 0.56
▸ HDAC2 Q92769 14/20 0.56
▸ HDAC10 Q969S8 14/20 0.56
▸ HDAC11 Q96DB2 14/20 0.56
▸ HDAC8 Q9BY41 14/20 0.56
▸ HDAC6 Q9UBN7 14/20 0.56
▸ HDAC9 Q9UKV0 14/20 0.56
▸ HDAC5 Q9UQL6 14/20 0.56
▸ EGFR P00533 3/20 0.51
▸ 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
SCHEMBL13310060 0.89 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13310045 0.88 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13310048 0.84 EGFR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL1468389 0.75 KDR (0.71) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1467939 0.75 KDR (0.83) KDREGFRFGFR1FLT1FLT4
SCHEMBL13310049 0.75 EGFR (0.61) KDREGFRFGFR1FLT1FLT4
SCHEMBL20752916 0.74 KDR (0.57) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752891 0.74 KDR (0.57) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752915 0.74 KDR (0.57) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7866042 0.74 FLT1 (0.73) KDREGFRFGFR1FLT1FLT4

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 KDR 2610/4885HDAC3 193/4885HDAC4 1205/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 KDR 2757/4885HDAC3 143/4885HDAC4 974/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 KDR 2610/4885HDAC3 193/4885HDAC4 1205/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 KDR 2610/4885HDAC3 193/4885HDAC4 1205/4885

“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.