SCHEMBL2993867

SCHEMBL2993867

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPK10 P53779 1/20 0.58
ALDH1A1 P00352 3/20 0.53
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SLC2A1 P11166 1/20 0.46
ADORA2A P29274 1/20 0.43
ENPP2 Q13822 1/20 0.42
CSF1R P07333 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL5054187 1.00 MEN1 (0.58) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL5052448 0.92 MAPT (0.51) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL2993523 0.92 MAPT (0.51) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL4586124 0.90 ENPP2 (0.45) MEN1KMT2AMAPK10ALDH1A1ENPP2
SCHEMBL4585167 0.89 CSF1R (0.51) MEN1KMT2AMAPK10ALDH1A1ENPP2
SCHEMBL2984471 0.86 MAPT (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL4586095 0.86 MAPT (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5049986 0.86 MAPT (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL2993014 0.86 MAPT (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL2993653 0.85 GAA (0.44) MEN1KMT2AALDH1A1MAPTLMNA

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885MAPK10 860/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MEN1 37/4885KMT2A 2272/4885MAPK10 1968/4885

“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.