SCHEMBL4601100

SCHEMBL4601100

O=C(O)c1c(Cc2ccccn2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.56
PDE10A Q9Y233 4/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 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
SCHEMBL4601611 0.88 DHODH (0.55) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4602280 0.86 PDE10A (0.54) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5005011 0.81 TACR3 (0.54) TSHRCYP2D6CYP2C19ALDH1A1TP53
SCHEMBL14009552 0.81 TACR3 (0.57) CYP2D6CYP2C19
SCHEMBL4601332 0.80 DHODH (0.57) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4602799 0.80 TACR3 (0.76) TSHRCYP2D6CYP2C19ALDH1A1TP53
Hydrochloric Acid SCHEMBL4602422 0.79 DHODH (0.56) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5005078 0.79 TACR3 (0.55) TSHRCYP2D6KDM4EALDH1A1
SCHEMBL4245187 0.77 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6957665 0.77 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB

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 3718/4885PDE10A 1635/4885LMNA 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.