SCHEMBL4602097

SCHEMBL4602097

OC(c1ccc(Br)cn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
S1PR3 Q99500 11/20 0.39
S1PR4 O95977 5/20 0.39
S1PR2 O95136 4/20 0.38
S1PR1 P21453 3/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL14585679 1.00 MEN1 (0.42) MEN1MAPTHPGDKMT2ATP53
SCHEMBL14585677 0.83 S1PR3 (0.40) MEN1MAPTHPGDKMT2ATP53
SCHEMBL4603195 0.83 S1PR3 (0.40) MEN1MAPTHPGDKMT2ATP53
SCHEMBL14628276 0.82 MEN1 (0.45) MEN1MAPTHPGDKMT2ATP53
SCHEMBL17050475 0.81 MAPT (0.40) MEN1MAPTKMT2AS1PR3S1PR4
SCHEMBL14033601 0.78 S1PR3 (0.45) MEN1KMT2AS1PR3S1PR4S1PR2
SCHEMBL19138122 0.77 S1PR3 (0.37) MEN1MAPTHPGDKMT2ATP53
SCHEMBL4601101 0.76 S1PR3 (0.42) MEN1MAPTHPGDKMT2ATP53
SCHEMBL14585687 0.76 S1PR3 (0.42) MEN1MAPTHPGDKMT2ATP53
SCHEMBL14585682 0.73 CHEK2 (0.39) MEN1MAPTHPGDKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MEN1 2363/4885MAPT 3828/4885HPGD 1410/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 MEN1 1752/4885MAPT 3860/4885HPGD 1677/4885

“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.