SCHEMBL4804777

SCHEMBL4804777

O=C(c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.72
IGF1R P08069 3/20 0.72
JAK2 O60674 10/20 0.58
JAK3 P52333 5/20 0.57
JAK1 P23458 3/20 0.57
TYK2 P29597 3/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
NCOR1 O75376 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PLK4 O00444 2/20 0.52
MAPK8 P45983 3/20 0.51
MAPK9 P45984 2/20 0.51
AURKA O14965 1/20 0.51
BMPR1B O00238 1/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
OPA1 O60313 1/20 0.51

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
SCHEMBL27658496 0.93 CDK2 (0.73) CDK2IGF1RJAK2JAK3PLK4
SCHEMBL3537388 0.88 CDK2 (0.67) CDK2IGF1RJAK2PLK4MAPK8
SCHEMBL4805850 0.87 CDK2 (0.68) CDK2IGF1RHDAC1MAPK8MAPK9
SCHEMBL4811064 0.84 CDK2 (0.64) CDK2IGF1RHDAC1MAPK8MAPK9
SCHEMBL28718949 0.83 CDK2 (0.61) CDK2IGF1RJAK2PLK4MAPK8
SCHEMBL29543751 0.83 CDK2 (0.61) CDK2IGF1RJAK2PLK4MAPK8
SCHEMBL7978513 0.82 CDK2 (0.69) CDK2IGF1RHDAC1MAPK8MAPK9
SCHEMBL4813320 0.82 CDK2 (0.61) CDK2IGF1RHDAC1MAPK8MAPK9
SCHEMBL1684872 0.81 CDK2 (0.70) CDK2IGF1RHDAC1MAPK8MAPK9
SCHEMBL4811306 0.80 CDK2 (0.72) CDK2IGF1RHDAC1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US claimed
CN-1294131-C Pyrimidine compound ASTRAZENECA AB (SE) 2007-01-10 CN claimed
CN-1537112-A Pyrimidine compound 2004-10-13 CN claimed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US claimed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP claimed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 WO claimed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
CN-1294131-C Pyrimidine compound ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
CN-1537112-A Pyrimidine compound 2004-10-13 CN disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 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 (2 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-20040077642-A1 Pyrimidine compounds TYMP, DPYD, TYMS CDK2 49/4885IGF1R 4669/4885JAK2 842/4885
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B CDK2 1016/4885IGF1R 1336/4885JAK2 419/4885

“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.