SCHEMBL675713

SCHEMBL675713

Cc1ccc2c(n1)[nH]c1ccc(C(=O)N(C(C)C)C(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.46
TLR7 Q9NYK1 13/20 0.46
TLR9 Q9NR96 10/20 0.44
RIPK1 Q13546 1/20 0.42
HPGD P15428 2/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KIF11 P52732 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL676064 0.86 RIPK1 (0.41) TLR8TLR7TLR9RIPK1HPGD
SCHEMBL674720 0.82 TLR8 (0.49) TLR8TLR7TLR9HPGDKDM4E
SCHEMBL675470 0.81 KDM4E (0.55) HPGDKDM4EALDH1A1KIF11KMT2A
SCHEMBL675071 0.81 KIF11 (0.58) TLR8TLR7HPGDKDM4EALDH1A1
SCHEMBL674852 0.77 KDM4E (0.43) TLR8TLR7HPGDKDM4EALDH1A1
SCHEMBL675477 0.77 RAB9A (0.51) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL675170 0.77 KDM4E (0.42) TLR8TLR7HPGDKDM4EALDH1A1
SCHEMBL676133 0.77 RIPK1 (0.41) TLR8TLR7RIPK1HPGDMCOLN3
SCHEMBL675507 0.74 ERBB2 (0.47) TLR8TLR7TLR9RIPK1HPGD
SCHEMBL674944 0.69 HSP90AA1 (0.46) TLR8TLR7TLR9HPGDALDH1A1

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 3806/4885TLR7 3780/4885TLR9 3374/4885

“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.