SCHEMBL674939

SCHEMBL674939

COc1ccc(-c2ccc3[nH]c4nc(CCCCCN)ccc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.39
FLT3 P36888 1/20 0.39
HTR1D P28221 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
SYK P43405 4/20 0.37
MAOB P27338 2/20 0.37
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HDAC1 Q13547 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
SCHEMBL3724896 0.89 CCNB2 (0.44) ALKKDM4EMAPTKMT2AHRH2
SCHEMBL676201 0.86 NPY1R (0.42) ALKFLT3GHSR
SCHEMBL675669 0.86 ALK (0.38) ALKHTR1DHTR6KDM4EMAPT
SCHEMBL676482 0.85 ALK (0.38) ALKKDM4EMAPTKMT2AHRH2
SCHEMBL3722837 0.85 PIM1 (0.43) HRH3
SCHEMBL3426129 0.83 DRD2 (0.39) HRH3
SCHEMBL3730838 0.82 DRD3 (0.44) ALKHTR1DHRH3HTR1AHRH4
SCHEMBL675726 0.82 ALK (0.39) ALKHTR1DHTR6KDM4EMAPT
SCHEMBL675724 0.80 ALK (0.41) ALKFLT3HTR1DHTR6KDM4E
SCHEMBL675788 0.77 GABRA1 (0.39) ALKHRH3GSK3AGSK3BHRH4

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 1/4885FLT3 210/4885HTR1D 3725/4885

“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.