SCHEMBL371146

SCHEMBL371146

Cc1ccc(Nc2cnc3cnn(CC4CCC(NC(=O)CC(C)(C)C)CC4)c3c2)cc1S(=O)(=O)NC(=O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
BRS3 P32247 1/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
DRD3 P35462 3/20 0.35
CRHR1 P34998 6/20 0.35
GRIN2B Q13224 5/20 0.34
SGK1 O00141 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRIN1 Q05586 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL10167440 0.83 BRD4 (0.42) BRD4
SCHEMBL371025 0.83 BRD4 (0.42) BRD4
SCHEMBL371024 0.83 BRD4 (0.42) BRD4
SCHEMBL343712 0.75 JAK2 (0.41) BRD4
SCHEMBL343711 0.75 JAK2 (0.41) BRD4
SCHEMBL10167438 0.75 JAK2 (0.41) BRD4
SCHEMBL343261 0.65 SYK (0.41) BRD4
SCHEMBL10167369 0.64 SYK (0.40) BRD4DRD2
SCHEMBL1474905 0.61 BRD4 (0.51) BRD4HTR2ADRD3
SCHEMBL1473773 0.60 BRD4 (0.50) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 BRD4 602/4885BRS3 1522/4885DRD2 1094/4885

“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.