SCHEMBL342888

SCHEMBL342888

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
MERTK Q12866 2/20 0.34
CRHR1 P34998 7/20 0.33
NR3C1 P04150 3/20 0.32
GRM2 Q14416 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
LMNA P02545 1/20 0.31
KAT2B Q92831 1/20 0.30
NPBWR1 P48145 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
SCHEMBL343925 0.86 CRHR1 (0.33) ADORA3ADORA1MERTKCRHR1NR3C1
SCHEMBL342898 0.86 CRHR1 (0.33) ADORA3ADORA1MERTKCRHR1NR3C1
SCHEMBL342899 0.86 CRHR1 (0.33) ADORA3ADORA1MERTKCRHR1NR3C1
SCHEMBL28651973 0.83 GRM2 (0.34) ADORA3ADORA1MERTKCRHR1NR3C1
SCHEMBL343114 0.82 CRHR1 (0.33) ADORA3ADORA1CRHR1NR3C1MAPK1
SCHEMBL342887 0.80 MITF (0.38) ADORA3ADORA1CRHR1NR3C1LMNA
SCHEMBL342889 0.80 MITF (0.38) ADORA3ADORA1CRHR1NR3C1LMNA
SCHEMBL27156539 0.80 MERTK (0.40) ADORA3ADORA1MERTKCRHR1GRM2
SCHEMBL10167368 0.80 LMNA (0.36) MERTKAXLTYRO3LMNAKAT2B
SCHEMBL27156541 0.80 MERTK (0.40) ADORA3ADORA1MERTKCRHR1GRM2

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-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 WO 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 ADORA3 420/4885ADORA1 477/4885MERTK 1098/4885

“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.