SCHEMBL676203

SCHEMBL676203

CCCC(N)Cc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
CA5A P35218 1/20 0.36
JAK2 O60674 2/20 0.36
ALK Q9UM73 2/20 0.35
FDPS P14324 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
AXL P30530 1/20 0.34
SCN9A Q15858 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GPR39 O43194 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL674941 0.88 ALK (0.38) ALKBCHEROCK2
SCHEMBL677180 0.84 JAK2 (0.36) GSK3BGSK3ACA5AJAK2ALK
SCHEMBL675790 0.84 GABRA1 (0.39) GSK3BGSK3AALKGABRA1GABRG2
SCHEMBL675100 0.84 IP6K1 (0.37) CA5AALK
SCHEMBL3722843 0.82 ATM (0.40)
SCHEMBL675877 0.81 JAK2 (0.49) JAK2ALK
SCHEMBL3426135 0.81 HRH3 (0.39)
SCHEMBL675733 0.80 JAK2 (0.36) GSK3BGSK3ACA5AJAK2ALK
SCHEMBL3730842 0.80 TLR8 (0.41) ALK
SCHEMBL3722217 0.79 GABRP (0.42) GSK3BGSK3AALKAXLGABRA1

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 GSK3B 104/4885GSK3A 131/4885CA5A 1904/4885

“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.