SCHEMBL31080679

SCHEMBL31080679

CCOC(=O)C(=CNc1ccc(Cl)c(F)c1)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.62
NPSR1 Q6W5P4 5/20 0.59
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
RECQL P46063 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46

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
SCHEMBL18987933 1.00 DHODH (0.62) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL9082408 0.90 DHODH (0.62) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL14341439 0.88 DHODH (0.67) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL10862238 0.88 DHODH (0.67) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL17241561 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL21050681 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL29705221 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL22795968 0.84 NPSR1 (0.56) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL10862565 0.84 DHODH (0.65) DHODHNPSR1MAPTKDM4ERECQL
SCHEMBL18987970 0.83 DHODH (0.60) DHODHNPSR1MAPTKDM4ERECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300937-A1 Substituted 6-(Pyrimidin-4-yl)Quinoline Compounds as Cyclin Dependent Kinase Inhibitors BEIGENE, LTD. (KY) 2024-09-12 US 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-20240300937-A1 Substituted 6-(Pyrimidin-4-yl)Quinoline Compounds as Cyclin Dependent Kinase Inhibitors CDK4, CDK6, CDK2 DHODH 1894/4885NPSR1 4791/4885MAPT 2302/4885

“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.