SCHEMBL2809857

SCHEMBL2809857

CNc1nnc(-c2cccc(Cl)c2-c2nc3ncccn3c2-c2ccc(C)[c]c2Cl)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
GAA P10253 12/20 0.33
MAPT P10636 8/20 0.33
ALDH1A1 P00352 5/20 0.33
TP53 P04637 4/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 2/20 0.30

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
SCHEMBL2814125 0.84 GAA (0.33) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL15911454 0.79 GAA (0.55) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL15911486 0.79 GAA (0.52) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL2808663 0.76 ALDH1A1 (0.35) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL2809753 0.73 GAA (0.50) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL15911664 0.73 GAA (0.49) ALOX15GAAMAPTTP53PKM
SCHEMBL15911618 0.71 GAA (0.53) GAAMAPTALDH1A1TP53TSHR
SCHEMBL2810004 0.68 TUBB4A (0.41) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL2812288 0.67 GAA (0.45) ALOX15GAAMAPTALDH1A1TP53
SCHEMBL2812308 0.67 GAA (0.47) ALOX15GAAMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278312-B2 Imidazo 1,2-a pyrimidine derivatives for the treatment of diseases such as diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US claimed
US-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES Merck Patent Gesellschaft Beschrankter Haftung (DE) 2010-09-30 US claimed

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-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES TYMS, CCNT1, INSR ALOX15 4463/4885GAA 1202/4885MAPT 3889/4885

“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.