SCHEMBL5048256

SCHEMBL5048256

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.55
CA9 Q16790 9/20 0.55
CA1 P00915 9/20 0.55
CA12 O43570 6/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NLRP3 Q96P20 1/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL5045051 0.91 NPC1 (0.50) CA2CA9CA1CA12NPC1
SCHEMBL5045003 0.88 CA12 (0.52) CA2CA9CA1CA12
SCHEMBL5035086 0.85 CA2 (0.51) CA2CA9CA1CA12SMN1; SMN2
SCHEMBL5041944 0.84 CA2 (0.59) CA2CA9CA1CA12MAPT
SCHEMBL5041958 0.82 MAPK1 (0.65) CA2CA9CA1CA12MAPT
SCHEMBL5048363 0.81 CA2 (0.54) CA2CA9CA1CA12MAPT
SCHEMBL5046705 0.81 CA2 (0.54) CA2CA9CA1CA12MAPT
SCHEMBL5047662 0.81 CA2 (0.55) CA2CA9CA1CA12MAPT
SCHEMBL5049382 0.80 CA2 (0.53) CA2CA9CA1CA12MAPT
SCHEMBL5041227 0.79 RXFP1 (0.48) CA2CA9CA1CA12NPC1

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 CA2 3957/4885CA9 4577/4885CA1 4019/4885

“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.