SCHEMBL3220976

SCHEMBL3220976

CC(C(=O)O)c1cc(=O)[nH][nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL24375480 0.77 CHEK1 (0.55) CHEK1AURKAMAP4K4ABL1CSF1R
SCHEMBL2635796 0.73 ERCC1 (0.47) DYRK1APTGS2PTGS1POLBDAO
SCHEMBL907903 0.69 POLB (0.40) PTGS2PTGS1POLBDAOKDM4E
SCHEMBL4479803 0.68 NAPRT (0.48) AURKAAURKBPTGS2PTGS1POLB
SCHEMBL907783 0.68 NAPRT (0.48) AURKAAURKBPTGS2PTGS1POLB
SCHEMBL8647980 0.66 DAO (0.51) CHEK1DAOMAPTSMN1; SMN2KDM4E
SCHEMBL2204495 0.63 PTGS2 (0.56) PTGS2PTGS1POLBAKR1C3AKR1C2
SCHEMBL7629389 0.63 GRM1 (0.42) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL490376 0.63 PTGS2 (0.51) PTGS2PTGS1POLBAKR1C3AKR1C2
SCHEMBL31402519 0.63 PTGS2 (0.51) PTGS2PTGS1POLBAKR1C3AKR1C2

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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CHEK1 2372/4885AURKA 1441/4885MAP4K4 1394/4885

“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.