SCHEMBL678784

SCHEMBL678784

Cn1c2ccccc2c2cc(C#Cc3ccccc3)cnc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.55
GRM4 Q14833 4/20 0.52
PTGER4 P35408 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GPR3 P46089 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE10A Q9Y233 3/20 0.42
HCRTR1 O43613 2/20 0.42

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
SCHEMBL676114 0.77 PTGER4 (0.56) GRM5GRM4PTGER4L3MBTL1ATM
SCHEMBL16625722 0.76 GPR3 (0.50) PTGER4L3MBTL1GPR3MEN1KMT2A
SCHEMBL678729 0.75 PDE10A (0.50) PTGER4L3MBTL1GPR3MEN1KMT2A
SCHEMBL679421 0.73 L3MBTL1 (0.49) GRM5GRM4L3MBTL1ATMTDP1
SCHEMBL679430 0.71 ALK (0.44) GRM5GRM4L3MBTL1ATMTDP1
SCHEMBL1609982 0.71 GPR3 (0.52) L3MBTL1GPR3PDE10A
SCHEMBL9903456 0.71 GRM5 (1.00) GRM5GRM4
SCHEMBL16607405 0.69 GRM4 (1.00) GRM4
SCHEMBL280139 0.69 GPR3 (0.58) L3MBTL1NPC1RAB9AGPR3PDE10A
SCHEMBL18381782 0.67 GPR3 (0.56) L3MBTL1NPC1RAB9AGPR3PDE10A

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 2 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

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

“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.