SCHEMBL20526574

SCHEMBL20526574

CS(=O)(=O)c1ccc(N)c(C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.51
IDE P14735 1/20 0.51
HRH4 Q9H3N8 8/20 0.47
PTGS2 P35354 2/20 0.42
KDM1A O60341 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR6 P50406 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL20526533 0.93 HRH4 (0.50) G6PDIDEHRH4PTGS2KDM1A
SCHEMBL20526559 0.83 HRH4 (0.51) HRH4
SCHEMBL20339551 0.79 HRH4 (0.39) G6PDIDEHRH4PTGS2SLC6A2
SCHEMBL23361329 0.78 PTGS2 (0.52) G6PDIDEHRH4PTGS2HTR6
SCHEMBL20526514 0.77 HRH4 (0.53) HRH4
SCHEMBL15577182 0.76 HRH4 (0.42) HRH4PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL20526498 0.76 SLC6A2 (0.43) HRH4PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL30526691 0.75 SLC6A2 (0.49) HRH4PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL898422 0.74 G6PD (0.64) G6PDIDEHTR6CA12CA1
SCHEMBL1851858 0.73 CA1 (0.68) G6PDIDEHTR6CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 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 (2 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-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators HRH4, HRH3, HRH2 G6PD 2043/4885IDE 3480/4885HRH4 1/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 G6PD 2043/4885IDE 3480/4885HRH4 1/4885

“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.