SCHEMBL56235

SCHEMBL56235

Cc1nc(Cl)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.54
PIK3C3 Q8NEB9 1/20 0.51
NTRK1 P04629 2/20 0.48

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
SCHEMBL57809 0.83 IGF1R (0.74) IGF1RPIK3C3NTRK1
SCHEMBL4073145 0.80 IGF1R (0.54) IGF1RNTRK1
SCHEMBL56620 0.80 IGF1R (0.69) IGF1RPIK3C3NTRK1
SCHEMBL13055845 0.78 IGF1R (0.52) IGF1RPIK3C3NTRK1
SCHEMBL56519 0.77 IGF1R (0.63) IGF1RPIK3C3NTRK1
SCHEMBL2570591 0.76 IGF1R (0.59) IGF1RPIK3C3NTRK1
SCHEMBL1164462 0.75 IGF1R (0.66) IGF1RNTRK1
SCHEMBL57256 0.74 NTRK1 (0.64) IGF1RNTRK1
SCHEMBL57255 0.74 NTRK1 (0.64) IGF1RNTRK1
SCHEMBL27690862 0.74 IGF1R (0.59) IGF1RPIK3C3NTRK1

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
CN-101119988-B Chemical compound ASTRAZENECA AB 2013-03-06 CN disclosed
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-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-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 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 (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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS IGF1R 3024/4885PIK3C3 3610/4885NTRK1 4732/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS IGF1R 2806/4885PIK3C3 3424/4885NTRK1 4681/4885

“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.