SCHEMBL343114

SCHEMBL343114

CC(C)(C)N(C[C@H]1CC[C@H](Cn2ncc3cnc(Cl)nc32)CC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.33
KAT2B Q92831 1/20 0.31
S1PR1 P21453 1/20 0.31
NR3C1 P04150 2/20 0.31
MAPK1 P28482 2/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 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
SCHEMBL342898 0.85 CRHR1 (0.33) CRHR1NR3C1MAPK1ADORA3ADORA1
SCHEMBL343925 0.85 CRHR1 (0.33) CRHR1NR3C1MAPK1ADORA3ADORA1
SCHEMBL342899 0.85 CRHR1 (0.33) CRHR1NR3C1MAPK1ADORA3ADORA1
SCHEMBL342888 0.82 ADORA3 (0.35) CRHR1KAT2BNR3C1MAPK1ADORA3
SCHEMBL28651973 0.80 GRM2 (0.34) CRHR1KAT2BNR3C1ADORA3ADORA1
SCHEMBL344026 0.80 JAK1 (0.42)
SCHEMBL342887 0.77 MITF (0.38) CRHR1NR3C1ADORA3ADORA1
SCHEMBL342889 0.77 MITF (0.38) CRHR1NR3C1ADORA3ADORA1
SCHEMBL342907 0.77 JAK1 (0.46)
SCHEMBL343335 0.77 AURKA (0.43)

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 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 CRHR1 1832/4885KAT2B 3469/4885S1PR1 165/4885

“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.