Sugi Predict

Sugi Predict / Compounds / SCHEMBL343043

SCHEMBL343043

SCHEMBL343043

Cc1ccc(Nc2ncc3cnn(C[C@H]4CC[C@@H](N)CC4)c3n2)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 14/20 0.42
▸ AXL P30530 4/20 0.41
▸ TYRO3 Q06418 4/20 0.41
▸ AURKA O14965 4/20 0.41
▸ CDK1 P06493 4/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 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
SCHEMBL343044 1.00 MERTK (0.42) MERTKAXLTYRO3AURKACDK1
SCHEMBL343867 0.93 CDK1 (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL343868 0.93 CDK1 (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL10167396 0.93 CDK1 (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL344726 0.90 CDK1 (0.42) AXLTYRO3AURKACDK1FLT3
SCHEMBL15428699 0.89 CDK1 (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL343261 0.88 SYK (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL343262 0.88 SYK (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL15428702 0.87 CDK1 (0.41) MERTKAXLTYRO3AURKACDK1
SCHEMBL342943 0.85 CDK1 (0.39) MERTKAXLTYRO3AURKACDK1

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 10 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
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 — — WO 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 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.