SCHEMBL676482

SCHEMBL676482

COc1ccc(-c2ccc3[nH]c4nc(CCCC(C)N)ccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.38
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
TDP2 O95551 1/20 0.35
FGB P02675 1/20 0.35

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
SCHEMBL675733 0.88 JAK2 (0.36) ALKTSHR
SCHEMBL675011 0.87 ALK (0.37) ALKMEN1KMT2AALDH1A1RAB9A
SCHEMBL675726 0.86 ALK (0.39) ALKHRH2HRH3MEN1KMT2A
SCHEMBL674939 0.85 ALK (0.39) ALKHRH2HRH3MEN1KMT2A
SCHEMBL3724896 0.85 CCNB2 (0.44) ALKHRH2HRH3MEN1KMT2A
SCHEMBL3722601 0.84 HRH3 (0.41) HRH3
SCHEMBL674977 0.83 DRD3 (0.43) ALKHRH3PRKAG1PRKAA1PRKAB1
SCHEMBL674941 0.81 ALK (0.38) ALKHRH2HRH3MEN1KMT2A
SCHEMBL677071 0.80 GABRA1 (0.39) ALKHRH3HRH4
SCHEMBL675460 0.78 JAK2 (0.49) ALKHRH3

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 1/4885HRH2 1972/4885HRH3 485/4885

“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.