SCHEMBL56941

SCHEMBL56941

O=[N+]([O-])c1ccc(F)cc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.60
IGF1R P08069 3/20 0.51
PIK3C3 Q8NEB9 1/20 0.46
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
NEK1 Q96PY6 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 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
SCHEMBL56922 0.86 NTRK1 (0.51) NTRK1IGF1RPIK3C3CCNA2CDK2
SCHEMBL2634156 0.84 NTRK1 (0.72) NTRK1IGF1R
SCHEMBL4696529 0.82 NTRK1 (0.57) NTRK1IGF1R
SCHEMBL4696527 0.82 NTRK1 (0.57) NTRK1IGF1R
SCHEMBL56675 0.81 NTRK1 (0.53) NTRK1IGF1RPIK3C3NEK1CCNA2
SCHEMBL4090176 0.81 NTRK1 (0.48) NTRK1IGF1RPIK3C3NTRK3NTRK2
SCHEMBL2634599 0.80 NTRK1 (0.69) NTRK1IGF1R
SCHEMBL56876 0.80 NTRK1 (0.46) NTRK1IGF1RPIK3C3CCNA2CDK2
SCHEMBL4697309 0.80 AURKA (0.48) NTRK1PIK3C3
SCHEMBL2634459 0.79 NTRK1 (0.71) NTRK1IGF1R

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 10 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-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
CN-1968933-A Pyrazole derivatives useful for the treatment of cancer ASTRAZENECA AB (SE) 2007-05-23 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 NTRK1 4732/4885IGF1R 3024/4885PIK3C3 3610/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885IGF1R 2806/4885PIK3C3 3424/4885
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 NTRK1 4504/4885IGF1R 2739/4885PIK3C3 1673/4885

“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.