SCHEMBL5045003

SCHEMBL5045003

NS(=O)(=O)c1cccc(NC(=O)c2cnn3ccc(-c4ccc(C(F)(F)F)cc4)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
SCN10A Q9Y5Y9 6/20 0.51
NR1I2 O75469 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL5041227 0.91 RXFP1 (0.48) CA12CA1CA2CA9SCN10A
SCHEMBL5048256 0.88 CA2 (0.55) CA12CA1CA2CA9
SCHEMBL5035282 0.85 CA2 (0.46) CA12CA1CA2CA9SCN10A
SCHEMBL5041321 0.85 CA12 (0.56) CA12CA1CA2CA9SCN10A
SCHEMBL5048263 0.84 CA12 (0.53) CA12CA1CA2CA9SCN10A
SCHEMBL5048467 0.84 MAPK1 (0.64) CA12CA1CA2CA9
SCHEMBL5049394 0.82 CA12 (0.50) CA12CA1CA2CA9SCN10A
SCHEMBL5045051 0.79 NPC1 (0.50) CA12CA1CA2CA9SCN10A
SCHEMBL5046705 0.78 CA2 (0.54) CA12CA1CA2CA9
SCHEMBL5041539 0.77 NTRK1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CA12 4779/4885CA1 4019/4885CA2 3957/4885

“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.