SCHEMBL57809

SCHEMBL57809

CCOC(=O)c1nc(Cl)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.74
PIK3C3 Q8NEB9 1/20 0.45
NTRK1 P04629 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
PAK4 O96013 1/20 0.38
PAK1 Q13153 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
SCHEMBL3663338 0.87 IGF1R (0.56) IGF1RPIK3C3PAK4
SCHEMBL56235 0.83 IGF1R (0.54) IGF1RPIK3C3NTRK1
SCHEMBL596030 0.80 IGF1R (0.49) IGF1R
SCHEMBL1101872 0.78 PLK4 (0.47) IGF1RPIK3C3PAK4
SCHEMBL1164520 0.78 IGF1R (0.72) IGF1RNTRK1
SCHEMBL22411350 0.76 KMT2A (0.47) IGF1RCDK2
SCHEMBL56620 0.71 IGF1R (0.69) IGF1RPIK3C3NTRK1
SCHEMBL4454629 0.71 IGF1R (0.77) IGF1R
SCHEMBL654797 0.71 LMNA (0.44) IGF1R
SCHEMBL1165200 0.71 IGF1R (0.67) IGF1RNTRK1CDK2

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 6 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-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
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.