SCHEMBL462122

SCHEMBL462122

C=C(C(=O)OCC)C(O)c1cccnc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.63
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.37
P2RX7 Q99572 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL13044544 0.84 KMT2A (0.44) CASP1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL17331464 0.81 CASP1 (0.53) CASP1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16712464 0.81 P2RX7 (0.41) CASP1HPGDP2RX7
SCHEMBL15037013 0.79 CASP1 (0.57) CASP1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30680940 0.78 CASP1 (0.50) CASP1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL15917187 0.77 CASP1 (1.00) CASP1MAPTCYP2D6ALDH1A1KMT2A
SCHEMBL15917866 0.77 CASP1 (0.70) CASP1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL15916867 0.77 CASP1 (0.70) CASP1MAPTMAPK1CYP2C19ALDH1A1
SCHEMBL30425504 0.77 CASP1 (1.00) CASP1MAPTCYP2D6ALDH1A1KMT2A
SCHEMBL6181763 0.76 MEN1 (0.46) MAPTCYP1A2CYP3A4CYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 CASP1 712/4885MAPT 2764/4885CYP1A2 2200/4885

“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.