SCHEMBL4560009

SCHEMBL4560009

Nc1ncc(-c2ccccc2)c(N2CCNCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.54
▸ DHFR P00374 2/20 0.52
▸ HTR1A P08908 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HTR2C P28335 2/20 0.46
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL2167151 0.83 HRH4 (0.61) HRH4DHFRHRH3CYP1A2CYP3A4
SCHEMBL7708544 0.83 NOS1 (0.58) DHFR
SCHEMBL4560012 0.77 DHFR (0.52) HRH4DHFRHTR1AHTR2AHTR7
SCHEMBL28839913 0.77 TAAR1 (0.53) HRH4HTR6HRH3
SCHEMBL9048996 0.77 CYP1A2 (0.68) HTR1AHTR2AHTR7HTR5AHTR6
SCHEMBL2754180 0.75 HRH4 (0.59) HRH4DHFRHRH3
SCHEMBL5799183 0.75 EPHX2 (0.61) HRH4HRH3CYP1A2
SCHEMBL17907560 0.74 DHFR (0.56) DHFRHRH3
SCHEMBL30515653 0.74 DHFR (0.56) DHFRHRH3
SCHEMBL13724424 0.74 HRH3 (0.49) HRH4HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 — — US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 — — 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 HRH4 48/4885DHFR 677/4885HTR1A 45/4885

“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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