SCHEMBL20526533

SCHEMBL20526533

CS(=O)(=O)c1ccc(N)c(C2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.50
G6PD P11413 1/20 0.49
IDE P14735 1/20 0.49
PTGS2 P35354 1/20 0.47
ALOX5AP P20292 4/20 0.40
FEN1 P39748 4/20 0.40
KDM1A O60341 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL20526574 0.93 G6PD (0.51) HRH4G6PDIDEPTGS2KDM1A
SCHEMBL20526514 0.84 HRH4 (0.53) HRH4
SCHEMBL20526498 0.83 SLC6A2 (0.43) HRH4PTGS2ALOX5APFEN1
SCHEMBL23361329 0.82 PTGS2 (0.52) HRH4G6PDIDEPTGS2ALOX5AP
SCHEMBL20526579 0.80 ALDH1A1 (0.58) HRH4PTGS2ALOX5APFEN1
SCHEMBL20526563 0.78 HTT (0.54) HRH4
SCHEMBL20526559 0.77 HRH4 (0.51) HRH4
SCHEMBL20339551 0.72 HRH4 (0.39) HRH4G6PDIDEPTGS2
SCHEMBL8662752 0.72 CHRNB2 (0.41) ALOX5APFEN1
SCHEMBL898422 0.72 G6PD (0.64) G6PDIDEHTR6

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-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
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 WO 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 HRH4 1/4885G6PD 2043/4885IDE 3480/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 HRH4 1/4885G6PD 2043/4885IDE 3480/4885

“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.