SCHEMBL10167413

SCHEMBL10167413

COc1ccc(NS(=O)(=O)c2ccc(Nc3ncc4cnn(CC5CCC(NC(=O)OC(C)(C)C)CC5)c4n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.42
TGFBR1 P36897 1/20 0.40
BTK Q06187 4/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
MAPT P10636 1/20 0.39
FGFR4 P22455 1/20 0.39
PDE5A O76074 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
FAM20C Q8IXL6 1/20 0.38
MERTK Q12866 1/20 0.38
SYK P43405 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL15428738 0.90 PTK2 (0.44) PTK2BTKCDK4CCND1MAPT
SCHEMBL31299827 0.88 SYK (0.44) CDK4MERTKSYK
SCHEMBL343682 0.85 MERTK (0.51) PTK2BTKCDK4CCND1FGFR4
SCHEMBL343683 0.85 MERTK (0.51) PTK2BTKCDK4CCND1FGFR4
SCHEMBL343957 0.84 PTK2 (0.42) PTK2BTKCDK4CCND1FGFR4
SCHEMBL10167369 0.81 SYK (0.40) BTKCDK4CCND1SYKCCND2
SCHEMBL10167377 0.80 BRD4 (0.49) PTK2CDK4CCND1FGFR4SYK
SCHEMBL10207996 0.80 LRRK2 (0.52)
SCHEMBL10207355 0.77 JAK1 (0.47) MERTK
SCHEMBL31299822 0.75 GPR119 (0.52) PTK2SYK

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 5 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-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
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 PTK2 619/4885TGFBR1 634/4885BTK 714/4885

“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.