SCHEMBL675669

SCHEMBL675669

COc1ccc(C=Cc2ccc3[nH]c4nc(CCCCCN)ccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
HTR1D P28221 1/20 0.37
HTR6 P50406 1/20 0.37
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
RELA Q04206 3/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34

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
SCHEMBL3725133 0.90 GHSR (0.42) ALKGLAKDM4EMEN1ALDH1A1
SCHEMBL3725135 0.90 GHSR (0.42) ALKGLAKDM4EMEN1ALDH1A1
SCHEMBL675098 0.87 IP6K1 (0.36) ALKRELA
SCHEMBL674939 0.86 ALK (0.39) ALKHTR1DHTR6KDM4EMEN1
SCHEMBL675011 0.86 ALK (0.37) ALKGLAKDM4EMEN1ALDH1A1
SCHEMBL677055 0.83 ALK (0.37) ALKGLAKDM4EMEN1ALDH1A1
SCHEMBL675114 0.82 USP20 (0.40) ALKTUBB1TUBB4ATUBBTUBA3C
SCHEMBL677053 0.81 ALK (0.39) ALKHTR1DHTR6GLAKDM4E
SCHEMBL675009 0.79 ALK (0.50) ALKHTR1DHTR6GLAKDM4E
SCHEMBL675671 0.78 ALK (0.37) ALKGLAKDM4EMEN1ALDH1A1

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 1/4885HTR1D 3725/4885HTR6 4762/4885

“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.