SCHEMBL217976

SCHEMBL217976

FC(F)(F)COc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
NTRK1 P04629 5/20 0.38
IGF1R P08069 4/20 0.38
AURKA O14965 2/20 0.38
FGFR1 P11362 2/20 0.38
PLK4 O00444 2/20 0.38
PAK4 O96013 2/20 0.38
STK10 O94804 1/20 0.38
RET P07949 1/20 0.38
FER P16591 1/20 0.38
CSNK2A2 P19784 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
FLT3 P36888 1/20 0.38
STAT3 P40763 1/20 0.38
STAT5A P42229 1/20 0.38
CDK3 Q00526 1/20 0.38
PTK2 Q05397 1/20 0.38
TNK2 Q07912 1/20 0.38

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
SCHEMBL4073779 0.84 IGF1R (0.42) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL4076750 0.81 IGF1R (0.40) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL1771025 0.81 NTRK1 (0.47) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL217676 0.81 JAK2 (0.42) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL3338899 0.80 IGF1R (0.42) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL220856 0.78 JAK2 (0.70) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL220024 0.78 JAK2 (0.47) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL4065430 0.76 JAK2 (0.44) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL4076654 0.74 ALDH1A1 (0.43) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL218642 0.73 MEN1 (0.62) JAK2JAK3NTRK1IGF1RAURKA

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 JAK2 35/4885JAK3 13/4885NTRK1 759/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 JAK2 42/4885JAK3 14/4885NTRK1 734/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 JAK2 35/4885JAK3 13/4885NTRK1 759/4885

“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.