SCHEMBL676839

SCHEMBL676839

Fc1cccc(C=Cc2ccc3[nH]c4nccc(Cl)c4c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.51
NFE2L2 Q16236 5/20 0.44
GRM4 Q14833 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 1/20 0.42
USP20 Q9Y2K6 1/20 0.40
NQO2 P16083 1/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTK6 Q13882 1/20 0.39

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
SCHEMBL3669223 0.87 ALK (0.56) ALKAURKAAURKBKDM4EMEN1
SCHEMBL676184 0.86 ALK (0.64) ALKNFE2L2GRM4CNR1CNR2
SCHEMBL674859 0.80 NFE2L2 (0.47) ALKNFE2L2CNR1CNR2USP20
SCHEMBL3725131 0.78 ALK (0.47) ALKNFE2L2GRM4USP20PTGS1
SCHEMBL3662783 0.78 ALK (0.58) ALKNFE2L2NQO2KDM4EGLA
SCHEMBL676054 0.78 AURKA (0.49) ALKAURKAAURKBALDH1A1PTK6
SCHEMBL675752 0.77 ALK (0.45) ALKNFE2L2GRM4USP20NQO2
SCHEMBL675227 0.77 NFE2L2 (0.45) ALKNFE2L2GRM4CNR1CNR2
SCHEMBL675854 0.76 ALK (0.56) ALKNFE2L2GRM4
SCHEMBL678798 0.74 NFE2L2 (0.53) ALKNFE2L2CNR1CNR2USP20

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 1/4885NFE2L2 845/4885GRM4 3998/4885

“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.