SCHEMBL4258023

SCHEMBL4258023

Cc1cnc(N(C)C)nc1N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.48
MERTK Q12866 1/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MCHR1 Q99705 5/20 0.41
ADRA2A P08913 4/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
JAK1 P23458 5/20 0.41
JAK2 O60674 2/20 0.41
ADRA1A P35348 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
SYK P43405 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL4258019 1.00 BTK (0.48) BTKMERTKCKS1BSKP1SKP2
SCHEMBL4256565 0.85 BTK (0.48) BTKMERTKCKS1BSKP1SKP2
SCHEMBL4256566 0.85 BTK (0.48) BTKMERTKCKS1BSKP1SKP2
SCHEMBL6464155 0.81 MCHR1 (0.64) BTKMERTKCKS1BSKP1SKP2
SCHEMBL6464159 0.81 MCHR1 (0.64) BTKMERTKCKS1BSKP1SKP2
SCHEMBL4264854 0.77 KDM1A (0.40) BTKCKS1BSKP1SKP2MCHR1
SCHEMBL4264857 0.77 KDM1A (0.40) BTKCKS1BSKP1SKP2MCHR1
SCHEMBL4255472 0.77 PDGFRB (0.45) BTKMCHR1ADRA2AHRH1HTR2B
SCHEMBL4255469 0.77 PDGFRB (0.45) BTKMCHR1ADRA2AHRH1HTR2B
SCHEMBL4267037 0.76 CNR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 BTK 1400/4885MERTK 153/4885CKS1B 2411/4885

“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.