SCHEMBL5041969

SCHEMBL5041969

O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1)c1cnn2c(C3CC3)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
KIF18A Q8NI77 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PLAU P00749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
LOX P28300 1/20 0.37

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
SCHEMBL5048348 0.90 MAPK1 (0.49) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5032670 0.89 SMN1; SMN2 (0.42) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5048443 0.84 MAPK1 (0.50) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5048363 0.84 CA2 (0.54) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5045778 0.81 MAPK1 (0.44) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5044973 0.81 KIF18A (0.50) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5048797 0.81 KIF18A (0.49) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5035039 0.79 SMN1; SMN2 (0.41) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5044864 0.75 MAPK1 (0.77) MAPK1KDM4EHTTKMT2AKIF18A
SCHEMBL5041069 0.75 MAPK1 (0.49) MAPK1KDM4EHTTKMT2AALDH1A1

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.