SCHEMBL4668145

SCHEMBL4668145

N#CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.60
PDE10A Q9Y233 4/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TACR3 P29371 2/20 0.45
TACR2 P21452 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
SCHEMBL4669412 0.88 DHODH (0.51) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4666988 0.85 SMN1; SMN2 (0.51) DHODHPDE10ALMNATSHRPOLB
SCHEMBL27704348 0.82 LMNA (0.52) DHODHPDE10ALMNATSHRPOLB
SCHEMBL8267472 0.81 LMNA (0.82) DHODHPDE10ALMNATSHRPOLB
SCHEMBL14492079 0.81 PDE10A (0.68) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6957665 0.81 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4245187 0.81 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL1581252 0.81 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4668167 0.81 LMNA (0.74) LMNATACR3TACR2
SCHEMBL4990828 0.80 TACR3 (0.60) CYP2D6CYP2C19TACR3TACR2

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-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
CN-101189211-A Quinoline derivatives as NK3 anatgonists ASTRAZENECA AB (SE) 2008-05-28 CN disclosed
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 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-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists KCNQ3, KCNA3, KCNK3 DHODH 2651/4885PDE10A 1093/4885LMNA 1889/4885

“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.