SCHEMBL679430

SCHEMBL679430

Cn1c2ccccc2c2c(C#Cc3ccccc3)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM4 Q14833 6/20 0.40
NPC1 O15118 1/20 0.38
HCRTR1 O43613 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL679335 0.80 UTS2R (0.43) ALKL3MBTL1GABRPGABRDGABRA1
SCHEMBL677949 0.78 RAB9A (0.50) ALKATMNPC1RAB9APOLB
SCHEMBL678690 0.73 GPR3 (0.44) L3MBTL1HCRTR1GABRPGABRDGABRA1
SCHEMBL678784 0.71 GRM5 (0.55) L3MBTL1ATMTDP1GRM4NPC1
SCHEMBL15387600 0.69 LMNA (0.39) L3MBTL1GRM4POLBGABRPGABRD
SCHEMBL3224745 0.69 GRM5 (0.37) ALKL3MBTL1ATMTDP1GRM4
SCHEMBL679421 0.69 L3MBTL1 (0.49) L3MBTL1ATMTDP1GRM4NPC1
SCHEMBL15940574 0.67 ADORA2A (0.54) GRM4NPC1GRM5
SCHEMBL280139 0.67 GPR3 (0.58) L3MBTL1NPC1RAB9AGPR3EGFR
SCHEMBL27426165 0.66 L3MBTL1 (0.43) L3MBTL1ATMTDP1NPC1HCRTR1

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 ALK 1/4885L3MBTL1 1883/4885ATM 359/4885

“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.