SCHEMBL5034808

SCHEMBL5034808

CC(C)(C)CNS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
PRMT1 Q99873 1/20 0.56
POLB P06746 1/20 0.51
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
LMNA P02545 1/20 0.50
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
CA4 P22748 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 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
SCHEMBL5568746 0.85 CYP19A1 (0.55) CYP19A1PRMT1POLBCA2CA12
SCHEMBL5032650 0.84 CYP19A1 (0.60) CYP19A1PRMT1POLBCA2CA12
SCHEMBL922755 0.81 CYP19A1 (0.66) CYP19A1PRMT1POLBCA2CA12
SCHEMBL1565027 0.81 PRMT1 (0.73) CYP19A1PRMT1POLBCA2CA12
SCHEMBL31174173 0.81 PRMT1 (0.73) CYP19A1PRMT1POLBCA2CA12
SCHEMBL9281374 0.79 CYP2C19 (0.67) CA2CA12CA1CA9LMNA
SCHEMBL5041380 0.79 CYP2C19 (0.49) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8762748 0.79 CYP19A1 (0.62) CYP19A1PRMT1POLBCA2CA12
SCHEMBL2788724 0.78 PRMT1 (0.61) CYP19A1PRMT1POLBCA2LMNA
SCHEMBL2018411 0.78 LMNA (0.69) CYP19A1PRMT1POLBCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO 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 CYP19A1 2174/4885PRMT1 798/4885POLB 2158/4885

“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.