SCHEMBL675457

SCHEMBL675457

CCCCC(N)c1ccnc2[nH]c3ccc(-c4ccc(CN5CCOCC5)cc4)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
ALK Q9UM73 6/20 0.47
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
CHEK1 O14757 1/20 0.44
ACHE P22303 1/20 0.44
CSF1R P07333 3/20 0.42
MAPKAPK2 P49137 1/20 0.41
CHUK O15111 4/20 0.40
MAPK8 P45983 4/20 0.40
CAMKK2 Q96RR4 4/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CASP3 P42574 1/20 0.40
CDK9 P50750 1/20 0.40
CASP7 P55210 1/20 0.40
LRRK2 Q5S007 1/20 0.40
INSR P06213 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3723321 0.82 ALK (0.50) JAK2ALKTLR8TLR7CHEK1
SCHEMBL675874 0.82 JAK2 (0.49) JAK2ALKTLR8TLR7CHEK1
SCHEMBL675730 0.81 ALK (0.45) ALK
SCHEMBL676470 0.81 ALK (0.45) JAK2ALK
SCHEMBL676828 0.79 ALK (0.59) JAK2ALKCHEK1ACHECAMKK2
SCHEMBL3667665 0.79 ALK (0.61) JAK2ALKTLR8TLR7CHEK1
SCHEMBL676479 0.79 ALK (0.51) ALKCDK1CDK2
SCHEMBL676734 0.79 ALK (0.49) JAK2ALKTLR8TLR7CHEK1
SCHEMBL676735 0.79 ALK (0.49) JAK2ALKTLR8TLR7CHEK1

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 201/4885ALK 1/4885TLR8 3806/4885

“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.