SCHEMBL2385203

SCHEMBL2385203

Cc1ccc(C)n1-c1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 6/20 0.41
MAPT P10636 4/20 0.41
USP2 O75604 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MET P08581 2/20 0.37
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HSD17B10 Q99714 4/20 0.37
TP53 P04637 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KDM6B O15054 1/20 0.37
KDM6A O15550 1/20 0.37
PDGFRB P09619 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
SCHEMBL2387721 0.82 MET (0.54) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL13625129 0.80 PDGFRB (0.40) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL2387601 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL12088996 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL14225392 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL15497750 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL2385634 0.72 MET (0.51) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL2385462 0.72 USP30 (0.39) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL357472 0.71 LPL (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL31295483 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO 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 (1 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ALDH1A1 802/4885KDM4E 2374/4885HPGD 308/4885

“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.