SCHEMBL5041944

SCHEMBL5041944

Cc1cc(-c2ccc(Cl)cc2)nc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)cnn12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.59
CA9 Q16790 8/20 0.59
CA12 O43570 7/20 0.59
CA1 P00915 7/20 0.59
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GBA1 P04062 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.48
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46

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
SCHEMBL5045481 0.92 ALDH1A1 (0.51) CA2CA9CA12CA1POLB
SCHEMBL5048263 0.89 CA12 (0.53) CA2CA9CA12CA1POLB
SCHEMBL5047662 0.89 CA2 (0.55) CA2CA9CA12CA1POLB
SCHEMBL5041958 0.88 MAPK1 (0.65) CA2CA9CA12CA1POLB
SCHEMBL5049382 0.87 CA2 (0.53) CA2CA9CA12CA1POLB
SCHEMBL5048363 0.87 CA2 (0.54) CA2CA9CA12CA1POLB
SCHEMBL5046705 0.87 CA2 (0.54) CA2CA9CA12CA1POLB
SCHEMBL5041510 0.85 CA2 (0.52) CA2CA9CA12CA1ALDH1A1
SCHEMBL5044931 0.85 KIF18A (0.52) CA2CA9CA12CA1POLB
SCHEMBL5045912 0.84 MAPK1 (0.52) CA2CA9CA12CA1POLB

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 4577/4885CA12 4779/4885

“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.