SCHEMBL4602890

SCHEMBL4602890

O=C(O)c1c(CCCc2cccnc2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.52
PDE10A Q9Y233 3/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
NAMPT P43490 1/20 0.51
DHODH Q02127 5/20 0.50
GPR84 Q9NQS5 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TBXAS1 P24557 4/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4601222 0.93 DHODH (0.52) PTGFRPDE10ATSHRLMNAPOLB
SCHEMBL4602935 0.87 DHODH (0.53) PTGFRPDE10ATSHRLMNAPOLB
SCHEMBL4602735 0.87 PDE10A (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL5004739 0.83 TACR3 (0.55) PTGFRTSHRLMNANAMPTALDH1A1
SCHEMBL14009563 0.83 TACR3 (0.58) PTGFRTSHRLMNAALDH1A1CYP2C19
SCHEMBL14009557 0.81 TACR3 (0.75) TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL4602002 0.80 TACR3 (0.54) PTGFRTSHRLMNAALDH1A1CYP2D6
SCHEMBL4601922 0.79 DHODH (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL14009564 0.79 TACR3 (0.60) PTGFRLMNA
SCHEMBL4602280 0.79 PDE10A (0.54) PTGFRPDE10ATSHRLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US claimed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 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-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ADORA3, KCNA3, TACR1 PTGFR 432/4885PDE10A 1635/4885TSHR 228/4885

“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.