SCHEMBL10038804

SCHEMBL10038804

FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccccc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
IGF1R P08069 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
IDH2 P48735 1/20 0.42
SYK P43405 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
ACP1 P24666 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.41
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10038823 0.81 AR (0.48) BACE1ALDH1A1MAPTIGF1RGAA
SCHEMBL3300391 0.80 BACE1 (0.66) BACE1ALDH1A1MAPTIGF1RGAA
SCHEMBL19209593 0.77 GAA (0.52) ALDH1A1MAPTIGF1RGAARAB9A
SCHEMBL10038805 0.72 ALDH1A1 (0.57) BACE1ALDH1A1MAPTGAARAB9A
SCHEMBL10038578 0.72 ALDH1A1 (0.49) BACE1ALDH1A1MAPTGAARAB9A
SCHEMBL27943848 0.72 ALDH1A1 (0.49) BACE1ALDH1A1MAPTGAARAB9A
SCHEMBL29210710 0.70 ALDH1A1 (0.44) CDK2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4558336 0.70 PDK2 (0.51) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL10038579 0.69 MAPT (0.43) BACE1ALDH1A1MAPTGAARAB9A
SCHEMBL11891520 0.69 BACE1 (0.51) CDK2BACE1ALDH1A1MAPTIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106206-B2 Solid luminescent quinoline compounds KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2012-01-31 US disclosed
US-20110263861-A1 QUINOLINE COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2011-10-27 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-20110263861-A1 QUINOLINE COMPOUND GTF3C3, GTF3C2, GTF3C1 CDK2 130/4885BACE1 4769/4885ALDH1A1 2963/4885

“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.