SCHEMBL219259

SCHEMBL219259

COc1cc(Nc2cc(Cl)nc(Cl)n2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.38
PLK4 O00444 1/20 0.38
PIK3C3 Q8NEB9 4/20 0.38
GSK3B P49841 2/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
IGF1R P08069 4/20 0.35
AURKA O14965 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL4007014 0.84 IGF1R (0.38) PAK4PLK4PIK3C3GSK3BMAPT
SCHEMBL219241 0.81 PLK4 (0.43) PAK4PLK4GSK3BIGF1RAURKA
SCHEMBL220647 0.80 PAK4 (0.57) PAK4PLK4PIK3C3GSK3BIGF1R
SCHEMBL27773483 0.79 IGF1R (0.42) PAK4MAPTIGF1RAURKAFGFR1
SCHEMBL218646 0.77 PLK4 (0.40) PAK4PLK4IGF1RAURKAJAK2
SCHEMBL4010893 0.77 JAK2 (0.44) IGF1RAURKAJAK2LCKFYN
SCHEMBL3852023 0.76 GRK6 (0.42) PAK4PLK4PIK3C3GSK3BIGF1R
SCHEMBL2321825 0.76 IGF1R (0.56) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL217676 0.75 JAK2 (0.42) PAK4PLK4SMN1; SMN2IGF1RAURKA
SCHEMBL5822082 0.75 GRK6 (0.42) PAK4PLK4PIK3C3GSK3BIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945631-B1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
WO-2009027736-A2 2,4 DIAMINOPYRIMID'LNES FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS AND CANCER ASTRAZENECA AB (SE) 2009-03-05 WO disclosed
WO-2009007753-A2 4- (3-AMINOPYRAZOLE) -PYRIMIDINE DERIVATIVEE AND THEIR USE AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 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 (3 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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885PIK3C3 186/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 197/4885PLK4 290/4885PIK3C3 167/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885PIK3C3 186/4885

“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.