SCHEMBL218646

SCHEMBL218646

COc1cc(Nc2nc(Cl)nc(Cl)c2F)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.40
PAK4 O96013 2/20 0.40
FGFR2 P21802 3/20 0.34
NTRK1 P04629 5/20 0.33
JAK2 O60674 3/20 0.33
AURKA O14965 2/20 0.33
JAK3 P52333 2/20 0.33
STK10 O94804 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
FER P16591 1/20 0.33
CSNK2A2 P19784 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
STAT3 P40763 1/20 0.33
STAT5A P42229 1/20 0.33
CDK3 Q00526 1/20 0.33
PTK2 Q05397 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL219241 0.87 PLK4 (0.43) PLK4PAK4FGFR2JAK2AURKA
SCHEMBL4981488 0.85 IGF1R (0.34) PLK4PAK4NTRK1JAK2AURKA
SCHEMBL219046 0.82 PAK4 (0.59) PLK4PAK4NTRK1JAK2AURKA
SCHEMBL219030 0.78 JAK2 (0.47) FGFR2NTRK1JAK2AURKAJAK3
SCHEMBL219259 0.77 PAK4 (0.38) PLK4PAK4FGFR2JAK2AURKA
SCHEMBL217676 0.77 JAK2 (0.42) PLK4PAK4NTRK1JAK2AURKA
SCHEMBL4065934 0.75 PLK4 (0.40) PLK4PAK4NTRK1JAK2AURKA
SCHEMBL4072828 0.75 PLK4 (0.40) PLK4PAK4FGFR2JAK2JAK3
SCHEMBL217975 0.75 IGF1R (0.45) PLK4PAK4FGFR1MEN1KMT2A
SCHEMBL219298 0.74 PLK4 (0.38) PLK4PAK4FGFR2AURKAMEN1

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 9 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
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 PLK4 291/4885PAK4 195/4885FGFR2 273/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PLK4 290/4885PAK4 197/4885FGFR2 254/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PLK4 291/4885PAK4 195/4885FGFR2 273/4885

“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.