SCHEMBL5048348

SCHEMBL5048348

O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 8/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 8/20 0.45
HSD17B10 Q99714 6/20 0.45
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 2/20 0.45
PKM P14618 1/20 0.45
CASP1 P29466 4/20 0.43
CASP7 P55210 4/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KIF18A Q8NI77 1/20 0.43
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL5041969 0.90 MAPK1 (0.49) MAPK1KDM4EHTTKMT2AALDH1A1
SCHEMBL5035039 0.89 SMN1; SMN2 (0.41) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5045362 0.86 MAPK1 (0.60) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5041102 0.83 MAPK1 (0.71) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5047654 0.83 MAPK1 (0.58) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5045812 0.83 HSD17B10 (0.49) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5046768 0.82 HSD17B10 (0.56) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5046705 0.82 CA2 (0.54) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5049782 0.81 HSD17B10 (0.46) MAPK1KDM4EHTTKMT2ATSHR
SCHEMBL5050002 0.80 KIF18A (0.51) MAPK1KDM4EHTTKMT2ATSHR

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 MAPK1 1732/4885KDM4E 3638/4885HTT 2091/4885

“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.