SCHEMBL343052

SCHEMBL343052

NC1CCC(Cn2ncc3cnc(Nc4ccc(N5CCS(=O)(=O)CC5)cc4)nc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.54
AURKA O14965 2/20 0.54
MERTK Q12866 5/20 0.51
SYK P43405 3/20 0.49
CDK2 P24941 5/20 0.44
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
CCND1 P24385 6/20 0.43
CCND2 P30279 6/20 0.43
CCND3 P30281 6/20 0.43
FGFR4 P22455 2/20 0.43
CCNE2 O96020 4/20 0.42
CCNA2 P20248 4/20 0.42
CCNE1 P24864 4/20 0.42
CCNA1 P78396 4/20 0.42
PAK4 O96013 1/20 0.42
PAK1 Q13153 1/20 0.42
PKN1 Q16512 1/20 0.42
CDK1 P06493 4/20 0.42
CCNB2 O95067 3/20 0.42

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
SCHEMBL343365 0.89 MERTK (0.53) CDK4AURKAMERTKCDK2CCND1
SCHEMBL343364 0.89 MERTK (0.53) CDK4AURKAMERTKCDK2CCND1
SCHEMBL343542 0.81 CDK4 (0.53) CDK4AURKACDK2CCND1CCND2
SCHEMBL343541 0.81 CDK4 (0.53) CDK4AURKACDK2CCND1CCND2
SCHEMBL1355464 0.81 CDK4 (0.57) CDK4AURKASYKCDK2CCND1
SCHEMBL31299866 0.79 MERTK (0.57) AURKAMERTKSYKCDK2AXL
SCHEMBL343460 0.79 CDK4 (0.62) CDK4AURKAMERTKCDK2AXL
SCHEMBL343383 0.79 MERTK (0.57) AURKAMERTKSYKCDK2AXL
SCHEMBL343382 0.79 MERTK (0.57) AURKAMERTKSYKCDK2AXL
Hydrochloric Acid SCHEMBL31299841 0.79 MERTK (0.56) AURKAMERTKSYKCDK2AXL

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 CDK4 71/4885AURKA 784/4885MERTK 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.