SCHEMBL14084194

SCHEMBL14084194

Nc1nc(NCC23CCN(CC2)CC3)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.52
▸ HRH1 P35367 4/20 0.47
▸ HRH2 P25021 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ BCHE P06276 1/20 0.45
▸ KDR P35968 3/20 0.41
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ EGFR P00533 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 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
SCHEMBL14084181 0.84 HRH4 (0.49) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084190 0.84 HRH4 (0.52) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084158 0.78 HRH4 (0.54) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084159 0.78 HRH4 (0.54) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084147 0.77 HRH4 (0.52) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084153 0.77 HRH4 (0.52) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084126 0.76 HRH4 (0.52) HRH4HRH1HRH2HRH3BCHE
SCHEMBL14084160 0.76 HRH4 (0.51) HRH4HRH1HRH2HRH3BCHE
SCHEMBL4736079 0.76 HRH3 (0.52) HRH4HRH1HRH2HRH3ADORA2A
SCHEMBL14084180 0.75 HRH4 (0.45) HRH4HRH1HRH2HRH3BCHE

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 3013/4885HRH1 2660/4885HRH2 2549/4885

“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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