SCHEMBL5581900

SCHEMBL5581900

CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 1.00
CDK2 P24941 15/20 1.00
IGF1R P08069 2/20 0.59
GSK3B P49841 1/20 0.54

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
SCHEMBL29644990 1.00 CDK4 (1.00) CDK4CDK2IGF1RGSK3B
SCHEMBL29644986 1.00 CDK4 (1.00) CDK4CDK2IGF1RGSK3B
SCHEMBL6644486 0.93 CDK4 (0.86) CDK4CDK2IGF1R
SCHEMBL6642542 0.91 CDK4 (0.83) CDK4CDK2IGF1R
SCHEMBL7242055 0.90 CDK4 (0.81) CDK4CDK2IGF1R
SCHEMBL5581580 0.89 CDK4 (0.81) CDK4CDK2IGF1R
SCHEMBL6641459 0.88 CDK2 (0.79) CDK4CDK2IGF1RGSK3B
SCHEMBL7238706 0.88 CDK4 (0.79) CDK4CDK2IGF1R
SCHEMBL6645907 0.88 CDK4 (0.80) CDK4CDK2IGF1R
SCHEMBL14632119 0.88 CDK4 (1.00) CDK4CDK2IGF1R

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 8 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
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP disclosed
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 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 2953/4885IGF1R 4884/4885

“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.