SCHEMBL14084166

SCHEMBL14084166

Nc1nc(NCCCC2CCCN2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 10/20 0.48
▸ BCHE P06276 2/20 0.39
▸ KDR P35968 3/20 0.38
▸ HRH1 P35367 3/20 0.38
▸ HRH2 P25021 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL14084165 0.91 HRH4 (0.48) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084163 0.88 HRH4 (0.51) HRH4BCHEKDRHRH1HRH2
SCHEMBL605673 0.88 HRH4 (0.51) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084226 0.88 HRH4 (0.51) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084164 0.85 HRH4 (0.50) HRH4BCHEKDRHRH1HRH2
SCHEMBL602935 0.82 HRH4 (0.53) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084162 0.82 HRH4 (0.53) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084112 0.80 HRH4 (0.51) HRH4BCHEKDRHRH1HRH2
SCHEMBL14084153 0.79 HRH4 (0.52) HRH4BCHEHRH1HRH2HRH3
SCHEMBL14084147 0.79 HRH4 (0.52) 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 5 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
WO-2008060767-A2 MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-05-22 — — 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 (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.

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