SCHEMBL219911

SCHEMBL219911

CC(C)Oc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.75
NTRK1 P04629 8/20 0.75
JAK3 P52333 6/20 0.75
AURKA O14965 4/20 0.75
RET P07949 2/20 0.75
FGFR1 P11362 2/20 0.75
FLT3 P36888 2/20 0.75
PTK2 Q05397 2/20 0.75
TNK2 Q07912 2/20 0.75
PLK4 O00444 1/20 0.75
STK10 O94804 1/20 0.75
PAK4 O96013 1/20 0.75
FER P16591 1/20 0.75
CSNK2A2 P19784 1/20 0.75
JAK1 P23458 1/20 0.75
TYK2 P29597 1/20 0.75
STAT3 P40763 1/20 0.75
STAT5A P42229 1/20 0.75
CDK3 Q00526 1/20 0.75
STK4 Q13043 1/20 0.75

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
SCHEMBL3345053 1.00 JAK2 (0.75) JAK2NTRK1JAK3AURKARET
SCHEMBL3349894 1.00 JAK2 (0.75) JAK2NTRK1JAK3AURKARET
SCHEMBL220720 0.91 JAK2 (0.76) JAK2NTRK1JAK3AURKARET
SCHEMBL3349448 0.88 JAK2 (0.75) JAK2NTRK1JAK3AURKARET
SCHEMBL31060183 0.88 NTRK1 (0.73) JAK2NTRK1JAK3AURKARET
SCHEMBL29434985 0.88 NTRK1 (0.73) JAK2NTRK1JAK3AURKARET
SCHEMBL18281508 0.88 NTRK1 (0.73) JAK2NTRK1JAK3AURKARET
SCHEMBL588730 0.88 NTRK1 (0.73) JAK2NTRK1JAK3AURKARET
SCHEMBL3034154 0.88 JAK2 (0.58) JAK2NTRK1JAK3AURKARET
SCHEMBL23808896 0.87 NTRK1 (0.75) JAK2NTRK1JAK3AURKARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 JAK2 35/4885NTRK1 759/4885JAK3 13/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 JAK2 35/4885NTRK1 759/4885JAK3 13/4885

“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.