SCHEMBL675945

SCHEMBL675945

CCCCCc1cc2c(nc1N)[nH]c1ccc(C(=O)CCC(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.47
PARP1 P09874 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
CYP1A2 P05177 2/20 0.36
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL677001 0.86 OXER1 (0.38) TLR8PARP1OXER1L3MBTL1MMP2
SCHEMBL3724175 0.85 HTT (0.42) TLR8PARP1
SCHEMBL3724389 0.83 MEN1 (0.44) ALDH1A1HPGD
SCHEMBL3424510 0.82 LTB4R (0.40) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL3721109 0.80 PARP1 (0.43) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL3726340 0.80 L3MBTL1 (0.41) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL676539 0.79 PARP1 (0.39) TLR8PARP1OXER1L3MBTL1MMP2
SCHEMBL676202 0.77 TLR8 (0.48) TLR8CYP1A2HSD17B10
SCHEMBL676501 0.74 LTB4R (0.43) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL676280 0.74 HTT (0.41) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 TLR8 3806/4885PARP1 1309/4885OXER1 3999/4885

“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.