SCHEMBL3347118

SCHEMBL3347118

C[C@H](Nc1ncc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.75
NTRK1 P04629 12/20 0.60
IGF1R P08069 5/20 0.59
JAK3 P52333 4/20 0.55
AURKA O14965 2/20 0.53
PLK4 O00444 1/20 0.53
STK10 O94804 1/20 0.53
PAK4 O96013 1/20 0.53
RET P07949 1/20 0.53
FGFR1 P11362 1/20 0.53
FER P16591 1/20 0.53
CSNK2A2 P19784 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
FLT3 P36888 1/20 0.53
STAT3 P40763 1/20 0.53
STAT5A P42229 1/20 0.53
CDK3 Q00526 1/20 0.53
PTK2 Q05397 1/20 0.53
TNK2 Q07912 1/20 0.53

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
SCHEMBL2634640 0.89 NTRK1 (0.77) JAK2NTRK1IGF1RJAK3
SCHEMBL217071 0.86 JAK2 (1.00) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL217828 0.84 JAK2 (0.82) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL4072757 0.80 NTRK1 (0.74) NTRK1IGF1R
SCHEMBL22535810 0.80 JAK2 (0.75) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL22535307 0.78 JAK2 (0.71) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL22535278 0.78 JAK2 (0.71) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL22535636 0.77 JAK2 (0.69) JAK2NTRK1IGF1RJAK3AURKA
SCHEMBL56620 0.76 IGF1R (0.69) NTRK1IGF1R
SCHEMBL22535325 0.75 JAK2 (0.67) JAK2NTRK1IGF1RJAK3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 759/4885IGF1R 818/4885
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 759/4885IGF1R 818/4885

“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.