SCHEMBL9609068

SCHEMBL9609068

COc1c(NC2CCC(NC(=O)OC(C)(C)C)CC2)ncnc1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.51
TBK1 Q9UHD2 4/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
JAK1 P23458 2/20 0.38
CFTR P13569 1/20 0.38
PIK3CD O00329 1/20 0.38
CCRL2 O00421 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL9608997 0.88 TBK1 (0.45) BTKTBK1CKS1BSKP1SKP2
SCHEMBL9607739 0.81 TP53 (0.45) TBK1
SCHEMBL9607736 0.79 ADORA1 (0.51)
SCHEMBL19283405 0.76 IRAK4 (0.62) BTK
SCHEMBL15223282 0.72 BTK (0.47) BTKCKS1BSKP1SKP2KDM1A
SCHEMBL15223285 0.72 BTK (0.47) BTKCKS1BSKP1SKP2KDM1A
SCHEMBL31034555 0.72 JAK1 (0.59) BTKJAK1JAK2
SCHEMBL31124435 0.71 BTK (0.46) BTKJAK1CCRL2JAK2
SCHEMBL31124343 0.71 BTK (0.46) BTKJAK1CCRL2JAK2
SCHEMBL29070892 0.71 BTK (0.41) BTKTBK1PIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 BTK 94/4885TBK1 3883/4885CKS1B 1819/4885

“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.