SCHEMBL676390

SCHEMBL676390

CCOCn1c2ccccc2c2c(C#Cc3ccccc3)ccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
ALK Q9UM73 2/20 0.33
PTGER4 P35408 1/20 0.33
GRM4 Q14833 4/20 0.33
TSHR P16473 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.30
GRM5 P41594 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL675524 0.78 UTS2R (0.37) SLC2A1UTS2RPTGER4TSHRMEN1
SCHEMBL679430 0.78 ALK (0.44) UTS2RALKGRM4L3MBTL1GRM5
SCHEMBL676114 0.77 PTGER4 (0.56) SLC2A1PTGER4GRM4TSHRADORA3
SCHEMBL676181 0.75 GRM5 (0.42) SLC2A1PTGER4GRM4TSHRMEN1
SCHEMBL675146 0.70 MTNR1B (0.38) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL674752 0.63 PTGER4 (0.49) SLC2A1PTGER4TSHRMEN1KMT2A
SCHEMBL13553021 0.61 MEN1 (0.49) TSHRMEN1KMT2ATDP1PGR
SCHEMBL15940574 0.61 ADORA2A (0.54) GRM4ADORA2AMEN1KMT2AGRM5
SCHEMBL3224745 0.60 GRM5 (0.37) ALKGRM4L3MBTL1GRM5ATM
SCHEMBL9355648 0.58 MAPT (0.50) MEN1KMT2ACHRNB2CHRNB4CHRNA3

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 SLC2A1 4450/4885UTS2R 4708/4885ALK 1/4885

“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.