SCHEMBL4602735

SCHEMBL4602735

O=C(O)c1c(CCCc2ccncc2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 4/20 0.54
POLB P06746 1/20 0.54
DHODH Q02127 7/20 0.53
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48
TACR3 P29371 3/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL4601922 0.92 DHODH (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4602890 0.87 PTGFR (0.52) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4601332 0.86 DHODH (0.57) PDE10ATSHRLMNAPOLBDHODH
Hydrochloric Acid SCHEMBL4602422 0.85 DHODH (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL5005339 0.82 TACR3 (0.58) TSHRLMNACYP2C19TP53TACR3
SCHEMBL14009533 0.82 TACR3 (0.61) TSHRLMNACYP2C19TP53TACR3
SCHEMBL4602280 0.81 PDE10A (0.54) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL14009572 0.80 TACR3 (0.79) TSHRCYP2D6CYP2C19TP53TACR3
Trifluoroacetic Acid SCHEMBL4601688 0.80 DHODH (0.50) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4601222 0.79 DHODH (0.52) PDE10ATSHRLMNAPOLBDHODH

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 PDE10A 1635/4885TSHR 228/4885LMNA 3173/4885

“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.