SCHEMBL20526563

SCHEMBL20526563

Nc1ccc(S(=O)(=O)N2CCCC2)cc1C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL20526533 0.78 HRH4 (0.50) HRH4
SCHEMBL20526493 0.76 KDM4E (0.63) HTTRAB9AUSP2MEN1KMT2A
SCHEMBL20526514 0.76 HRH4 (0.53) HRH4
SCHEMBL14419475 0.75 ALDH1A1 (0.66) HTTLMNARAB9AUSP2MEN1
SCHEMBL20526579 0.75 ALDH1A1 (0.58) HTTLMNAHRH4MEN1KMT2A
SCHEMBL20526498 0.75 SLC6A2 (0.43) HTTLMNAHRH4KDM4EALDH1A1
SCHEMBL1746018 0.74 RAB9A (0.61) HTTLMNARAB9AUSP2KDM4E
SCHEMBL4894531 0.72 RAB9A (0.63) HTTRAB9AUSP2KDM4EPOLB
SCHEMBL20526574 0.71 G6PD (0.51) HRH4
SCHEMBL9796209 0.71 ALDH1A1 (0.67) HTTLMNARAB9AUSP2MEN1

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
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 HTT 178/4885LMNA 4837/4885RAB9A 2872/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 HTT 178/4885LMNA 4837/4885RAB9A 2872/4885

“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.