SCHEMBL343334

SCHEMBL343334

CC(C)(C)C(NC(=O)O)C1CCC(Cn2ncc3cnc(Nc4ccc(C5CCCCC5)cc4)nc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.41
CDK1 P06493 9/20 0.41
CCNB1 P14635 9/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
JAK1 P23458 2/20 0.38
CSF1R P07333 1/20 0.38
JAK3 P52333 2/20 0.37
DGAT1 O75907 1/20 0.37
JAK2 O60674 2/20 0.37
WEE1 P30291 1/20 0.37
TYK2 P29597 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL342531 0.85 CDK4 (0.46) AURKACDK1CCNB1CDK4CCND1
SCHEMBL15428771 0.83 CDK4 (0.44) AURKACDK1CCNB1CDK4CCND1
SCHEMBL342955 0.83 CDK1 (0.39) AURKACDK1CCNB1JAK1CSF1R
SCHEMBL343335 0.83 AURKA (0.43) AURKACDK1CCNB1CDK4CCND1
SCHEMBL15428772 0.81 AURKA (0.44) AURKACDK1CCNB1CDK4CCND1
SCHEMBL343817 0.80 CDK2 (0.44) AURKACDK1CCNB1CCND3CSF1R
SCHEMBL343483 0.80 AURKA (0.46) AURKACDK1CCNB1CDK4CCND1
SCHEMBL343484 0.80 AURKA (0.46) AURKACDK1CCNB1CDK4CCND1
SCHEMBL344025 0.79 NR3C1 (0.35)
SCHEMBL343113 0.79 NR3C1 (0.35)

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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
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 AURKA 784/4885CDK1 10/4885CCNB1 388/4885

“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.