SCHEMBL676064

SCHEMBL676064

CC(C)N(C(=O)c1ccc2[nH]c3nc(Cl)ccc3c2c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
TLR8 Q9NR97 6/20 0.40
TLR7 Q9NYK1 6/20 0.40
HPGD P15428 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TLR9 Q9NR96 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ERBB2 P04626 1/20 0.36
PTK6 Q13882 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS2 P35354 2/20 0.35
ABCC4 O15439 1/20 0.35

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
SCHEMBL675713 0.86 TLR8 (0.46) RIPK1TLR8TLR7HPGDMCOLN3
SCHEMBL674944 0.83 HSP90AA1 (0.46) TLR8TLR7HPGDALDH1A1LMNA
SCHEMBL676133 0.81 RIPK1 (0.41) RIPK1TLR8TLR7HPGDMCOLN3
SCHEMBL676197 0.80 KIF11 (0.48) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL675507 0.78 ERBB2 (0.47) RIPK1TLR8TLR7HPGDMCOLN3
SCHEMBL675022 0.78 KIF11 (0.41) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL16241834 0.77 KDM4E (0.35) TLR8TLR7HPGDMAPTKDM4E
SCHEMBL676378 0.76 ALDH1A1 (0.45) HPGDKDM4EALDH1A1LMNAPOLB
SCHEMBL676048 0.76 GSK3B (0.41) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL3664810 0.75 MEN1 (0.33) TLR8TLR7HPGDMAPTKDM4E

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 RIPK1 1355/4885TLR8 3806/4885TLR7 3780/4885

“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.