SCHEMBL20526508

SCHEMBL20526508

CCN(c1ccnc(S(C)(=O)=O)n1)c1ccc(C(=O)OC)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.42
CRHR1 P34998 4/20 0.41
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
AURKA O14965 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL20526557 0.82 CRHR1 (0.41) HRH4CRHR1TSHRSMN1; SMN2KDM4E
SCHEMBL20526544 0.72 HRH4 (0.70) HRH4CRHR1
SCHEMBL20529932 0.70 HRH4 (0.77) HRH4CRHR1
SCHEMBL20526542 0.67 HRH4 (0.81) HRH4
SCHEMBL3915273 0.66 NOTUM (0.55) TSHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4851010 0.65 MAPK1 (0.41) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL8169741 0.65 VCAM1 (0.60) CYP1A2TSHRCYP2C19SMN1; SMN2KDM4E
SCHEMBL18002653 0.63 NOTUM (0.51) TSHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL22020324 0.63 KDM4E (0.55) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1763417 0.63 VCAM1 (0.56) CYP1A2TSHRCYP2C19SMN1; SMN2KDM4E

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-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 US disclosed
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 WO 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 1/4885CRHR1 857/4885CYP1A2 3052/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 HRH4 1/4885CRHR1 857/4885CYP1A2 3052/4885

“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.