SCHEMBL343383

SCHEMBL343383

CS(=O)(=O)c1ccc(Nc2ncc3cnn(C[C@H]4CC[C@H](N)CC4)c3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.57
CDK2 P24941 3/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK1 P06493 10/20 0.45
CCNB1 P14635 9/20 0.45
AURKA O14965 7/20 0.45
SYK P43405 2/20 0.45
CCNB2 O95067 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
GSK3B P49841 1/20 0.43
RIPK2 O43353 1/20 0.42
ACVR1 Q04771 1/20 0.42
NOD2 Q9HC29 1/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41

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
SCHEMBL31299866 1.00 MERTK (0.57) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL343382 1.00 MERTK (0.57) MERTKCDK2CCNE2CCNE1CDK1
Hydrochloric Acid SCHEMBL31299841 0.99 MERTK (0.56) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL31299854 0.91 MERTK (0.47) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL31299828 0.90 CDK1 (0.47) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL342481 0.90 CDK2 (0.47) MERTKCDK2CDK1CCNB1AURKA
SCHEMBL342482 0.90 CDK2 (0.47) MERTKCDK2CDK1CCNB1AURKA
SCHEMBL31299831 0.89 CDK1 (0.45) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL31299855 0.89 CDK1 (0.45) MERTKCDK2CCNE2CCNE1CDK1
SCHEMBL31299845 0.88 CDK2 (0.47) MERTKCDK2CCNE2CCNE1CDK1

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 MERTK 1098/4885CDK2 6/4885CCNE2 1305/4885

“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.