SCHEMBL4603510

SCHEMBL4603510

O=C(c1cc(Cl)cc(Cl)c1)c1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ACLY P53396 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TPMT P51580 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
PGR P06401 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37
BACE1 P56817 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3033377 0.85 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9AHSD17B1
SCHEMBL27477768 0.78 KDM4E (0.50) KDM4EALDH1A1NPC1RAB9AHSD17B1
SCHEMBL19138112 0.78 ALDH1A1 (0.50) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL256768 0.77 ALDH1A1 (0.63) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL4602074 0.76 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL17157509 0.76 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL27296576 0.75 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL13606933 0.75 ALDH1A1 (0.55) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL18821297 0.74 RAB9A (0.42) KDM4EALDH1A1NPC1RAB9AHSD17B1
SCHEMBL29780125 0.74 RAB9A (0.42) KDM4EALDH1A1NPC1RAB9AHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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 (2 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 KDM4E 2378/4885ALDH1A1 1994/4885NPC1 1611/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 KDM4E 2177/4885ALDH1A1 2874/4885NPC1 1949/4885

“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.