SCHEMBL21840862

SCHEMBL21840862

Cc1cccc(Nc2nc3ccccc3c3[nH]nc(N)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
MAPT P10636 5/20 0.52
ABCB1 P08183 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
EGFR P00533 2/20 0.49
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDR P35968 4/20 0.44
KIT P10721 3/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ERBB2 P04626 1/20 0.44
FLT3 P36888 2/20 0.43
PDGFRB P09619 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL18264402 0.88 EGFR (0.47) SMN1; SMN2ABCG2EGFRKDRTP53
SCHEMBL18264156 0.87 NPY5R (0.50) MAPTSMN1; SMN2ABCG2HTTTP53
SCHEMBL18264168 0.86 MEN1 (0.52) MAPTABCB1SMN1; SMN2ABCG2EGFR
SCHEMBL18264403 0.85 BTK (0.57) MAPTABCB1SMN1; SMN2ABCG2EGFR
SCHEMBL18264152 0.84 MEN1 (0.56) MAPTABCB1SMN1; SMN2ABCG2HTT
SCHEMBL18264175 0.83 KDM1A (0.52) MAPTSMN1; SMN2ABCG2EGFRHTT
SCHEMBL18264159 0.80 MAPT (0.52) MAPTABCG2EGFRKDRTP53
SCHEMBL18264161 0.80 ABCG2 (0.51) MAPTABCG2EGFRTDP1KDR
SCHEMBL18264174 0.80 GAA (0.52) MAPTABCG2HTTTP53MEN1
SCHEMBL18264140 0.80 AURKA (0.36) SLC2A1SMN1; SMN2KDRMEN1KMT2A

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-20200113878-A1 PYRAZOLO[4,3-C]Quinoline Derivatives For Inhibition Of Beta-Glucuronidase KAOHSIUNG MEDICAL UNIVERSITY (TW) 2020-04-16 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-20200113878-A1 PYRAZOLO[4,3-C]Quinoline Derivatives For Inhibition Of Beta-Glucuronidase UGT1A3, UGT1A1, GUSB SLC2A1 1140/4885MAPT 4074/4885ABCB1 185/4885

“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.