SCHEMBL14084012

SCHEMBL14084012

Nc1nc2c(c(N3CCC4NCCC43)n1)CCCc1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.61
HRH3 Q9Y5N1 4/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
BCHE P06276 2/20 0.41
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KDR P35968 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.33
NPY5R Q15761 1/20 0.32

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
SCHEMBL14084076 0.92 HRH4 (0.61) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14084077 0.92 HRH4 (0.61) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14084042 0.91 HRH4 (0.60) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14084001 0.91 HRH4 (0.59) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14083993 0.91 HRH4 (0.59) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14084014 0.82 HRH4 (0.61) HRH4HRH3HRH2HRH1BCHE
SCHEMBL603424 0.82 HRH4 (0.61) HRH4HRH3HRH2HRH1BCHE
SCHEMBL613423 0.82 HRH4 (0.61) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14084046 0.81 HRH4 (0.60) HRH4HRH3HRH2HRH1BCHE
SCHEMBL14083988 0.80 HRH4 (0.58) HRH4HRH3HRH2HRH1BCHE

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 3013/4885HRH3 3492/4885HRH2 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.