SCHEMBL4604372

SCHEMBL4604372

COC(=O)C(NC(=O)c1c(CCCc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.57
TACR2 P21452 6/20 0.52
TSHR P16473 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
NFKB1 P19838 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP2C9 P11712 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MTOR P42345 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4615566 0.94 TACR3 (0.56) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL5005339 0.91 TACR3 (0.58) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL4602002 0.90 TACR3 (0.54) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL4603265 0.90 TACR3 (0.57) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL4601324 0.87 TACR3 (0.57) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL14009533 0.87 TACR3 (0.61) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL14009572 0.85 TACR3 (0.79) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL5004809 0.85 TACR3 (0.57) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4603824 0.85 TACR3 (0.53) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL4614150 0.84 TACR3 (0.60) TACR3TACR2TSHRMEN1ALDH1A1

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 7 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
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US 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 TACR3 12/4885TACR2 9/4885TSHR 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.