SCHEMBL4601222

SCHEMBL4601222

O=C(O)c1c(CCc2cccnc2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.52
LMNA P02545 4/20 0.52
PDE10A Q9Y233 3/20 0.52
PTGFR P43088 1/20 0.52
TSHR P16473 1/20 0.51
NAMPT P43490 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GBA1 P04062 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL4602890 0.93 PTGFR (0.52) DHODHLMNAPDE10APTGFRTSHR
SCHEMBL4602935 0.89 DHODH (0.53) DHODHLMNAPDE10APTGFRTSHR
SCHEMBL4601922 0.86 DHODH (0.56) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL4602038 0.82 TACR3 (0.56) LMNAPTGFR
SCHEMBL5008111 0.82 TACR3 (0.54) LMNAPTGFR
SCHEMBL14009556 0.81 TACR3 (0.74) CYP2D6CYP2C19
SCHEMBL4603824 0.79 TACR3 (0.53) LMNATSHRCYP2D6ALDH1A1
SCHEMBL4602735 0.79 PDE10A (0.56) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL27725819 0.79 TACR3 (0.52) LMNAPTGFR
SCHEMBL14009548 0.78 TACR3 (0.62) LMNAPTGFR

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 8 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
CN-101282961-A Alkylpyridyl quinolines as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-08 CN 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
CN-101282961-A Alkylpyridyl quinolines as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-08 CN 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 DHODH 3718/4885LMNA 3173/4885PDE10A 1635/4885

“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.