SCHEMBL341735

SCHEMBL341735

N[C@H]1CC[C@H](Cn2ncc3cnc(Nc4ccc(S(=O)(=O)NC5CC5)cc4)nc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 2/20 0.47
SYK P43405 3/20 0.47
MERTK Q12866 6/20 0.44
NAMPT P43490 1/20 0.42
STK4 Q13043 1/20 0.41
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PLK2 Q9NYY3 1/20 0.41
PTK2 Q05397 1/20 0.40
PTK2B Q14289 1/20 0.40
AURKA O14965 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL341734 1.00 STK3 (0.47) STK3SYKMERTKNAMPTSTK4
SCHEMBL343383 0.88 MERTK (0.57) SYKMERTKAURKACDK1CCNB1
SCHEMBL31299866 0.88 MERTK (0.57) SYKMERTKAURKACDK1CCNB1
SCHEMBL343382 0.88 MERTK (0.57) SYKMERTKAURKACDK1CCNB1
Hydrochloric Acid SCHEMBL31299841 0.87 MERTK (0.56) SYKMERTKAURKACDK1CCNB1
SCHEMBL342481 0.85 CDK2 (0.47) SYKMERTKAURKACDK1CCNB1
SCHEMBL342482 0.85 CDK2 (0.47) SYKMERTKAURKACDK1CCNB1
SCHEMBL343518 0.84 MERTK (0.43) SYKMERTKAURKACDK1CCNB1
SCHEMBL343517 0.84 MERTK (0.43) SYKMERTKAURKACDK1CCNB1
SCHEMBL343683 0.84 MERTK (0.51) MERTKPTK2AXLTYRO3FLT3

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 4 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 claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
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

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 STK3 312/4885SYK 601/4885MERTK 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.