SCHEMBL4601101

SCHEMBL4601101

OC(c1cc(Cl)cc(Cl)c1)c1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 17/20 0.42
S1PR4 O95977 8/20 0.42
BRD4 O60885 1/20 0.41
S1PR2 O95136 6/20 0.40
S1PR1 P21453 7/20 0.39
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
GFER P55789 1/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL14585687 1.00 S1PR3 (0.42) S1PR3S1PR4BRD4S1PR2S1PR1
SCHEMBL14033601 0.85 S1PR3 (0.45) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL4602819 0.81 S1PR3 (0.43) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14625821 0.80 S1PR3 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL19138122 0.78 S1PR3 (0.37) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL5514077 0.77 S1PR3 (0.48) S1PR3S1PR4S1PR2
SCHEMBL4602097 0.76 MEN1 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14585679 0.76 MEN1 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14623454 0.75 S1PR3 (0.49) S1PR3S1PR4BRD4S1PR2S1PR1
SCHEMBL27296578 0.75 NR3C1 (0.36) S1PR3S1PR4S1PR2S1PR1

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
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
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
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 S1PR3 1297/4885S1PR4 3232/4885BRD4 245/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 S1PR3 1396/4885S1PR4 3216/4885BRD4 177/4885

“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.