SCHEMBL56643

SCHEMBL56643

N#Cc1cc(F)cc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
NTRK1 P04629 1/20 0.46
IGF1R P08069 9/20 0.43
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
SRC P12931 3/20 0.41
GSK3B P49841 3/20 0.41
PIK3C3 Q8NEB9 1/20 0.41

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
SCHEMBL4090176 0.85 NTRK1 (0.48) JAK2NTRK1IGF1RPIK3C3
SCHEMBL56709 0.83 JAK2 (0.61) JAK2JAK3NTRK1IGF1R
SCHEMBL56710 0.83 JAK2 (0.61) JAK2JAK3NTRK1IGF1R
SCHEMBL56876 0.82 NTRK1 (0.46) JAK2JAK3NTRK1IGF1RCCNA2
SCHEMBL27678420 0.80 MKNK1 (0.38) JAK2JAK3NTRK1
SCHEMBL4095809 0.79 NTRK1 (0.45) NTRK1IGF1RCCNA2CDK2PIK3C3
SCHEMBL56941 0.76 NTRK1 (0.60) NTRK1IGF1RCCNA2CDK2PIK3C3
SCHEMBL4092986 0.75 NTRK1 (0.43) JAK2JAK3NTRK1IGF1RCCNA2
SCHEMBL56922 0.75 NTRK1 (0.51) JAK2NTRK1IGF1RCCNA2CDK2
SCHEMBL56660 0.74 NTRK1 (0.64) JAK2JAK3NTRK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2009-09-10 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
EP-1742921-A2 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005103010-A2 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-11-03 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS JAK2 812/4885JAK3 2364/4885NTRK1 4732/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS JAK2 873/4885JAK3 2429/4885NTRK1 4681/4885
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 JAK2 1236/4885JAK3 848/4885NTRK1 4504/4885

“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.