SCHEMBL675008

SCHEMBL675008

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.48
GLA P06280 2/20 0.39
AHR P35869 2/20 0.39
UTS2R Q9UKP6 2/20 0.38
EGFR P00533 2/20 0.37
IGF1R P08069 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PTK6 Q13882 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ZAP70 P43403 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
PTK2B Q14289 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL676274 0.89 ALK (0.44) ALKGLAUTS2RPTK6NPC1
SCHEMBL676479 0.87 ALK (0.51) ALKUTS2REGFRIGF1RPTK6
SCHEMBL677052 0.81 AHR (0.39) ALKGLAAHREGFRTAS1R3
SCHEMBL3728347 0.80 ALK (0.52) ALKGLAAHRUTS2REGFR
SCHEMBL3728344 0.80 ALK (0.52) ALKGLAAHRUTS2REGFR
SCHEMBL675668 0.80 TAS1R3 (0.37) ALKGLAAHRTAS1R3TAS1R1
SCHEMBL676373 0.77 ALK (0.76) ALKGLAPTK6NPC1CYP1A2
SCHEMBL3662783 0.76 ALK (0.58) ALKGLAAHRPTK6ESR1
SCHEMBL3724364 0.76 MEN1 (0.41) EGFRGSK3BCYP2C9TDP1
SCHEMBL675730 0.76 ALK (0.45) ALKUTS2RGSK3AGSK3B

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 1/4885GLA 3517/4885AHR 864/4885

“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.