SCHEMBL675874

SCHEMBL675874

CCCCC(N)c1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.49
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
CHEK1 O14757 6/20 0.45
ACHE P22303 1/20 0.45
HRH3 Q9Y5N1 2/20 0.40
CSF1R P07333 3/20 0.40
TLR9 Q9NR96 1/20 0.40
ALK Q9UM73 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDK7 P50613 2/20 0.38
TNKS O95271 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 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
SCHEMBL676490 0.83 CHEK1 (0.54) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL675877 0.82 JAK2 (0.49) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL3727833 0.82 JAK2 (0.50) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL675457 0.82 JAK2 (0.48) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL676200 0.81 GSK3B (0.37) JAK2ALK
SCHEMBL676493 0.81 JAK2 (0.49) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL675460 0.81 JAK2 (0.49) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL676883 0.80 MAPT (0.40) JAK2CHEK1ALK
SCHEMBL675719 0.79 JAK2 (0.57) JAK2TLR8TLR7CHEK1ACHE
SCHEMBL3662982 0.79 JAK2 (0.57) JAK2TLR8TLR7CHEK1ACHE

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 JAK2 201/4885TLR8 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.