SCHEMBL676114

SCHEMBL676114

CCOCn1c2ccccc2c2cc(C#Cc3ccccc3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.56
GRM5 P41594 4/20 0.43
GRM4 Q14833 6/20 0.42
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 1/20 0.35
SLC2A1 P11166 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL676791 0.80 PTGER4 (0.49) PTGER4SLC2A1KDM4EALDH1A1GAA
SCHEMBL676181 0.80 GRM5 (0.42) PTGER4GRM5GRM4SLC2A1KDM4E
SCHEMBL676390 0.77 SLC2A1 (0.34) PTGER4GRM5GRM4CHRNB2CHRNA4
SCHEMBL678784 0.77 GRM5 (0.55) PTGER4GRM5GRM4ATML3MBTL1
SCHEMBL15774569 0.72 PTGER4 (1.00) PTGER4KDM4EALDH1A1GAAHPGD
SCHEMBL674752 0.67 PTGER4 (0.49) PTGER4SLC2A1KDM4EALDH1A1GAA
SCHEMBL14418729 0.67 PTGER4 (0.69) PTGER4KDM4EALDH1A1GAAHPGD
SCHEMBL13553021 0.65 MEN1 (0.49) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL675524 0.65 UTS2R (0.37) PTGER4SLC2A1KDM4EALDH1A1GAA
SCHEMBL676070 0.64 UTS2R (0.33) PTGER4SLC2A1ALOX15TSHR

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 PTGER4 3364/4885GRM5 3229/4885GRM4 3998/4885

“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.