SCHEMBL20526515

SCHEMBL20526515

Nc1ccc(OC(F)(F)F)cc1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ ALOX5AP P20292 3/20 0.41
▸ FEN1 P39748 3/20 0.41
▸ TNK2 Q07912 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SCN4A P35499 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
SCHEMBL21617078 0.93 GPR3 (0.40) HRH4ALOX5APFEN1NPC1RAB9A
SCHEMBL14775067 0.86 HTR2C (0.42) SLC6A2SCN4ASLC6A3SCN9ASLC6A4
SCHEMBL30609128 0.77 FFAR4 (0.40) HRH4ALOX5APFEN1SCN9AGPR3
SCHEMBL19853488 0.75 TRPV1 (0.39) HRH4SLC6A3SLC6A4GPR3KIF11
SCHEMBL21157883 0.75 PTGDR2 (0.50) RAB9ACYP1A2CYP3A4GAACYP2C9
SCHEMBL22208778 0.73 FFAR4 (0.40) SLC6A4GPR3KIF11TRPV1FFAR4
SCHEMBL21835693 0.73 FFAR4 (0.41) CYP2C9SCN5AGPR3KIF11TRPV1
SCHEMBL31241319 0.73 CHRNB2 (0.40) ALOX15SLC6A4
SCHEMBL26794589 0.73 TRPV1 (0.42) GAAGPR3KIF11MAPK1TRPV1
SCHEMBL29546263 0.73 NR4A1 (0.56) ALOX5APFEN1NPC1RAB9AGMNN

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 1/4885ALOX5AP 1525/4885FEN1 4679/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 HRH4 1/4885ALOX5AP 1525/4885FEN1 4679/4885

“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.

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