SCHEMBL4602819

SCHEMBL4602819

Clc1cc(Cl)cc(C(Cl)c2ccc(Br)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 18/20 0.43
S1PR4 O95977 8/20 0.43
S1PR2 O95136 6/20 0.38
S1PR1 P21453 8/20 0.37
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL14033593 0.84 S1PR3 (0.43) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14033306 0.84 S1PR3 (0.43) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL4601101 0.81 S1PR3 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14585687 0.81 S1PR3 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14625821 0.81 S1PR3 (0.42) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14033749 0.79 S1PR3 (0.51) S1PR3S1PR4S1PR2MEN1KMT2A
SCHEMBL14033932 0.79 S1PR3 (0.51) S1PR3S1PR4S1PR2MEN1KMT2A
SCHEMBL4603195 0.76 S1PR3 (0.40) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14585677 0.76 S1PR3 (0.40) S1PR3S1PR4S1PR2S1PR1MEN1
SCHEMBL14033813 0.72 TRPV1 (0.39) 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 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 S1PR3 1297/4885S1PR4 3232/4885S1PR2 3248/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 S1PR3 1396/4885S1PR4 3216/4885S1PR2 3345/4885

“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.