SCHEMBL4893857

SCHEMBL4893857

CC(C)c1nc(Nc2cccc(Cl)c2)ncc1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
CDK2 P24941 1/20 0.46
SMG1 Q96Q15 1/20 0.46
CAMK2D Q13557 1/20 0.46
EGFR P00533 2/20 0.45
KDR P35968 1/20 0.45
MET P08581 1/20 0.44
ALK Q9UM73 1/20 0.44
BRD4 O60885 2/20 0.44
CHEK1 O14757 1/20 0.44
LMNA P02545 1/20 0.44
SRC P12931 1/20 0.43
CCR5 P51681 1/20 0.43
NUAK1 O60285 1/20 0.43
STK16 O75716 1/20 0.43
NTRK1 P04629 1/20 0.43
CSF1R P07333 1/20 0.43
CSNK2A2 P19784 1/20 0.43
TYK2 P29597 1/20 0.43
AAK1 Q2M2I8 1/20 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
SCHEMBL14026186 0.88 CAMK2D (0.46) CAMK2DKDRMETALKBRD4
Hydrochloric Acid SCHEMBL4892867 0.87 CAMK2D (0.46) CAMK2DKDRMETALKAAK1
SCHEMBL14026176 0.86 BRD4 (0.48) CDK1CDK2SMG1CAMK2DEGFR
Hydrochloric Acid SCHEMBL4895824 0.85 BRD4 (0.48) CDK1CDK2SMG1CAMK2DEGFR
SCHEMBL4889093 0.82 CNR2 (0.55) CDK1CDK2SMG1CAMK2DEGFR
SCHEMBL14026112 0.82 CDK1 (0.46) CDK1CDK2SMG1CAMK2DEGFR
SCHEMBL4891634 0.80 SYK (0.50) JAK3MAOBGRM5SYKMAPT
SCHEMBL14026109 0.76 GRM5 (0.45) CDK1JAK3MAOBGRM5SYK
SCHEMBL14026177 0.75 GRM5 (0.46) CDK1EGFRJAK3MAOBGRM5
SCHEMBL4891684 0.75 CNR2 (0.53) MAOBGRM5SYK

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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CDK1 347/4885CDK2 85/4885SMG1 1535/4885

“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.