SCHEMBL676447

SCHEMBL676447

C(=Cc1ccc2[nH]c3nccc(C=Cc4ccccc4)c3c2c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.77
IP6K1 Q92551 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL676321 0.87 ALK (1.00) ALKMEN1MAPTKMT2AKDM4E
SCHEMBL678790 0.87 ALK (1.00) ALKMEN1MAPTKMT2AKDM4E
SCHEMBL676184 0.87 ALK (0.64) ALK
SCHEMBL3669223 0.85 ALK (0.56) ALKIP6K1MEN1MAPTKMT2A
SCHEMBL676373 0.84 ALK (0.76) ALKKDM4ENPC1GLARAB9A
SCHEMBL676639 0.84 ALK (0.56) ALKIP6K1
SCHEMBL676640 0.84 ALK (0.56) ALKIP6K1
SCHEMBL3727398 0.77 ALK (0.47) ALKIP6K1MEN1MAPTKMT2A
SCHEMBL3727396 0.77 ALK (0.47) ALKIP6K1MEN1MAPTKMT2A
SCHEMBL676356 0.76 ALK (0.55) ALKMEN1KMT2AKDM4ENPC1

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 1/4885IP6K1 3330/4885MEN1 1324/4885

“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.