SCHEMBL676536

SCHEMBL676536

CCCCCC=Cc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
CHEK1 O14757 7/20 0.44
ACHE P22303 2/20 0.44
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
ALK Q9UM73 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL676535 1.00 JAK2 (0.46) JAK2CHEK1ACHETLR8TLR7
SCHEMBL3732828 0.84 CHEK1 (0.54) JAK2CHEK1ACHETLR8TLR7
SCHEMBL3732831 0.84 CHEK1 (0.54) JAK2CHEK1ACHETLR8TLR7
SCHEMBL3727833 0.83 JAK2 (0.50) JAK2CHEK1ACHETLR8TLR7
SCHEMBL678879 0.82 JAK2 (0.49) JAK2CHEK1ACHETLR8TLR7
SCHEMBL676734 0.82 ALK (0.49) JAK2CHEK1ACHETLR8TLR7
SCHEMBL676735 0.82 ALK (0.49) JAK2CHEK1ACHETLR8TLR7
SCHEMBL675137 0.81 ALK (0.37) ALKTSHR
SCHEMBL675136 0.81 ALK (0.37) ALKTSHR
SCHEMBL676021 0.80 MAPT (0.40) CHEK1ALKMEN1KMT2A

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 201/4885CHEK1 1744/4885ACHE 2545/4885

“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.