Sugi Predict

Sugi Predict / Compounds / SCHEMBL343675

SCHEMBL343675

SCHEMBL343675

Cc1ccc(Nc2ncc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1S(N)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 2/20 0.51
▸ CDK4 P11802 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ CCND2 P30279 1/20 0.51
▸ GPR119 Q8TDV5 2/20 0.48
▸ NR3C1 P04150 3/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ AURKA O14965 7/20 0.45
▸ CDK1 P06493 7/20 0.45
▸ CCNB1 P14635 4/20 0.45
▸ AURKB Q96GD4 3/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ JAK3 P52333 2/20 0.43

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
SCHEMBL343351 0.86 CDK1 (0.44) CCND3CDK4CCND1CCND2AURKA
SCHEMBL10167379 0.86 CDK1 (0.44) CCND3CDK4CCND1CCND2AURKA
SCHEMBL343811 0.83 AURKA (0.51) CCND3CDK4CCND1CCND2CYP3A4
SCHEMBL342357 0.82 AURKA (0.52) CYP3A4CYP2C9AURKACDK1CCNB1
SCHEMBL10167410 0.82 AURKA (0.52) CYP3A4CYP2C9AURKACDK1CCNB1
SCHEMBL15428704 0.82 CDK1 (0.48) AURKACDK1CCNB1AURKBCDK2
SCHEMBL15428705 0.82 CDK1 (0.48) AURKACDK1CCNB1AURKBCDK2
SCHEMBL2587928 0.81 AURKA (0.49) CCND3CDK4CCND1CCND2GPR119
SCHEMBL342652 0.80 CDK1 (0.48) CYP3A4CYP2C9AURKACDK1CCNB1
SCHEMBL342650 0.80 CDK1 (0.46) CYP3A4CYP2C9AURKACDK1CCNB1

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 9 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

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 CCND3 208/4885CDK4 71/4885CCND1 272/4885

“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.