SCHEMBL676198

SCHEMBL676198

CCCCC/C=C/c1ccnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.66
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ZAP70 P43403 1/20 0.41
CDK5 Q00535 1/20 0.41
PTK2B Q14289 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL676199 1.00 ALK (0.66) ALKCCNB2CDK1CCNB1GSK3A
SCHEMBL3735321 0.89 ALK (0.58) ALK
SCHEMBL3735322 0.89 ALK (0.58) ALK
SCHEMBL675900 0.87 ALK (0.50) ALK
SCHEMBL675901 0.87 ALK (0.50) ALK
SCHEMBL676701 0.86 ALK (0.49) ALK
SCHEMBL676700 0.86 ALK (0.49) ALK
SCHEMBL3434725 0.84 ALK (0.55) ALK
SCHEMBL3434722 0.84 ALK (0.55) ALK
SCHEMBL676627 0.81 ALK (0.45) ALK

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 ALK 1/4885CCNB2 1329/4885CDK1 1141/4885

“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.