SCHEMBL4095809

SCHEMBL4095809

O=[N+]([O-])c1c(NCCO)cc(F)cc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.45
IGF1R P08069 7/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
BCL6 P41182 1/20 0.37
BCOR Q6W2J9 1/20 0.37

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
SCHEMBL4102720 0.85 NTRK1 (0.58) NTRK1IGF1R
SCHEMBL4102715 0.85 NTRK1 (0.58) NTRK1IGF1R
SCHEMBL4090176 0.83 NTRK1 (0.48) NTRK1IGF1RPIK3C3
SCHEMBL56643 0.79 JAK2 (0.48) NTRK1IGF1RCCNA2CDK2PIK3C3
SCHEMBL56941 0.74 NTRK1 (0.60) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL56922 0.73 NTRK1 (0.51) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4696527 0.68 NTRK1 (0.57) NTRK1IGF1R
SCHEMBL4696529 0.68 NTRK1 (0.57) NTRK1IGF1R
SCHEMBL4086119 0.68 NTRK1 (0.55) NTRK1IGF1R
SCHEMBL4086126 0.68 NTRK1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2009-09-10 US 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 (1 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-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 NTRK1 4504/4885IGF1R 2739/4885CCNA2 509/4885

“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.