SCHEMBL14084112

SCHEMBL14084112

Nc1nc(NCCC2CCNC2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.51
▸ BCHE P06276 3/20 0.39
▸ KDR P35968 2/20 0.39
▸ ACHE P22303 3/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ ACP1 P24666 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL14084108 0.90 HRH4 (0.53) HRH4BCHEKDRBRD4HRH1
SCHEMBL14084113 0.86 HRH4 (0.57) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084117 0.85 HRH4 (0.52) HRH4BCHEKDRBRD4
SCHEMBL605673 0.85 HRH4 (0.51) HRH4BCHEKDRACHEHRH1
SCHEMBL14084173 0.85 HRH4 (0.51) HRH4BCHEKDRACHEHRH1
SCHEMBL14084104 0.83 HRH4 (0.54) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084165 0.82 HRH4 (0.48) HRH4BCHEKDRACHEIRAK4
SCHEMBL14084166 0.80 HRH4 (0.48) HRH4BCHEKDRACHEHRH1
SCHEMBL14197761 0.79 HRH4 (0.47) HRH4BCHEKDRACHEHRH1
SCHEMBL602935 0.79 HRH4 (0.53) HRH4BCHEKDRHRH1HRH2

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 — — US disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 — — US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 — — US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 — — 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 (1 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HRH4 3013/4885BCHE 1235/4885KDR 2593/4885

“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.

Send feedback