SCHEMBL343683

SCHEMBL343683

COc1ccc(NS(=O)(=O)c2ccc(Nc3ncc4cnn(C[C@H]5CC[C@H](N)CC5)c4n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.51
AXL P30530 3/20 0.47
TYRO3 Q06418 3/20 0.47
FGFR4 P22455 1/20 0.44
PDE5A O76074 3/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PTK2 Q05397 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 1/20 0.43
FAM20C Q8IXL6 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
KEAP1 Q14145 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
SCHEMBL343682 1.00 MERTK (0.51) MERTKAXLTYRO3FGFR4PDE5A
SCHEMBL15428738 0.88 PTK2 (0.44) MERTKFGFR4PDE5APDE4APDE4B
SCHEMBL31299866 0.85 MERTK (0.57) MERTKAXLTYRO3
SCHEMBL343383 0.85 MERTK (0.57) MERTKAXLTYRO3
SCHEMBL343382 0.85 MERTK (0.57) MERTKAXLTYRO3
SCHEMBL10167413 0.85 PTK2 (0.42) MERTKFGFR4PDE5APDE4APDE4B
SCHEMBL343957 0.85 PTK2 (0.42) MERTKFGFR4PDE5APDE4APDE4B
SCHEMBL341734 0.84 STK3 (0.47) MERTKAXLTYRO3PTK2FLT3
SCHEMBL341735 0.84 STK3 (0.47) MERTKAXLTYRO3PTK2FLT3
Hydrochloric Acid SCHEMBL31299841 0.84 MERTK (0.56) MERTKAXLTYRO3

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 8 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-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
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 1098/4885AXL 821/4885TYRO3 1189/4885

“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.