SCHEMBL14084108

SCHEMBL14084108

Nc1nc(NCC2CCNC2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.53
▸ BCHE P06276 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ APP P05067 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ EGFR P00533 2/20 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
SCHEMBL14084117 0.95 HRH4 (0.52) HRH4BCHEKDRAPPBRD4
SCHEMBL14084113 0.94 HRH4 (0.57) HRH4BCHEKDRAPPHRH2
SCHEMBL14084104 0.92 HRH4 (0.54) HRH4BCHEKDRAPPHRH2
SCHEMBL14084112 0.90 HRH4 (0.51) HRH4BCHEKDRBRD4HRH2
SCHEMBL602935 0.84 HRH4 (0.53) HRH4BCHEKDRAPPHRH2
SCHEMBL14084162 0.84 HRH4 (0.53) HRH4BCHEKDRAPPHRH2
SCHEMBL14084175 0.84 HRH4 (0.47) HRH4BCHEKDRAPPHRH2
SCHEMBL14084171 0.84 HRH4 (0.53) HRH4BCHEKDRAPPHRH2
SCHEMBL14084163 0.82 HRH4 (0.51) HRH4BCHEKDRHRH2HRH1
SCHEMBL14084226 0.82 HRH4 (0.51) HRH4BCHEKDRHRH2HRH1

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.

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