SCHEMBL371024

SCHEMBL371024

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.42
TTK P33981 2/20 0.39
JAK1 P23458 7/20 0.38
JAK2 O60674 4/20 0.38
TYK2 P29597 3/20 0.38
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK3 P52333 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL10167440 1.00 BRD4 (0.42) BRD4TTKJAK1JAK2TYK2
SCHEMBL371025 1.00 BRD4 (0.42) BRD4TTKJAK1JAK2TYK2
SCHEMBL343711 0.92 JAK2 (0.41) BRD4TTKJAK1JAK2TYK2
SCHEMBL343712 0.92 JAK2 (0.41) BRD4TTKJAK1JAK2TYK2
SCHEMBL10167438 0.92 JAK2 (0.41) BRD4TTKJAK1JAK2TYK2
SCHEMBL343262 0.83 SYK (0.41) BRD4TTKJAK1JAK2TYK2
SCHEMBL343261 0.83 SYK (0.41) BRD4TTKJAK1JAK2TYK2
SCHEMBL371146 0.83 BRD4 (0.35) BRD4
SCHEMBL10167369 0.81 SYK (0.40) BRD4TTKJAK1JAK2TYK2
SCHEMBL344726 0.78 CDK1 (0.42) JAK1JAK2TYK2AURKACDK1

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 3 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-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 BRD4 602/4885TTK 226/4885JAK1 79/4885

“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.