SCHEMBL5581580

SCHEMBL5581580

CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.81
CDK2 P24941 16/20 0.81
ULK1 O75385 1/20 0.53
PTK2 Q05397 2/20 0.52
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CSF1R P07333 1/20 0.50
IGF1R P08069 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKACA P17612 1/20 0.50
LTK P29376 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL29644986 0.89 CDK4 (1.00) CDK4CDK2IGF1R
SCHEMBL5581900 0.89 CDK4 (1.00) CDK4CDK2IGF1R
SCHEMBL29644990 0.89 CDK4 (1.00) CDK4CDK2IGF1R
SCHEMBL6644486 0.86 CDK4 (0.86) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL6642542 0.85 CDK4 (0.83) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL7242055 0.82 CDK4 (0.81) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL6648540 0.81 CDK4 (0.76) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL7241987 0.79 CDK4 (0.74) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL6646695 0.79 CDK4 (0.71) CDK4CDK2PTK2DAPK3JAK2
SCHEMBL6786505 0.79 CDK4 (0.73) CDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP claimed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US claimed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
US-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-09-27 US disclosed
US-20040226056-A1 Compositions and methods for treating neurological disorders and diseases MYRIAD GENETICS, INCORPORATED (US) 2004-11-11 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-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES CLN6, PMP22, PSEN2 CDK4 2698/4885CDK2 2953/4885ULK1 3631/4885

“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.