SCHEMBL10189758

SCHEMBL10189758

Cc1cc(-c2nn[nH]c2-c2cncnc2)cc2c1OCO2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MAPK1 P28482 1/20 0.30
MAP2K4 P45985 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MAPKAPK3 Q16644 1/20 0.30
MAPK6 Q16659 1/20 0.30
MAPKAPK5 Q8IW41 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
SCHEMBL10189759 0.86 LMNA (0.37) PDE3BPDE3AMAPK1MAP2K4MAPKAPK2
SCHEMBL411263 0.85 ALDH1A1 (0.43) MAPK1
SCHEMBL10189757 0.82 MAPK1 (0.33) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189779 0.82 MAPK1 (0.34) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189775 0.80 MAPT (0.34) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189782 0.80 ALDH1A1 (0.35) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189764 0.79 KIT (0.37) PDE3BPDE3A
SCHEMBL10189784 0.79 ALDH1A1 (0.33) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189778 0.78 BRD4 (0.32) PTGS2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL10189766 0.76 CASP3 (0.41)

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 PTGS2 3488/4885PDE3B 1992/4885PDE3A 1794/4885

“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.