SCHEMBL10189778

SCHEMBL10189778

Cc1cc(-c2nn[nH]c2-c2ccc3c(c2)OCC3)cc2c1OCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
OGA O60502 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 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
SCHEMBL10189752 0.88 OGA (0.36) OGAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL408515 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL10189779 0.82 MAPK1 (0.34) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189760 0.80 ALDH1A1 (0.38) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189775 0.80 MAPT (0.34) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189782 0.80 ALDH1A1 (0.35) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189758 0.78 PTGS2 (0.31) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189777 0.78 PTGS2 (0.32) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189763 0.78 MAPT (0.40) MAPK1PTGS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10189757 0.78 MAPK1 (0.33) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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 (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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 BRD4 295/4885MAPK1 750/4885MAP2K4 1560/4885

“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.