SCHEMBL678790

SCHEMBL678790

C(=C/c1ccnc2[nH]c3ccccc3c12)\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 1.00
KDM4E B2RXH2 4/20 0.54
GLA P06280 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ATM Q13315 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ERBB2 P04626 2/20 0.46
UTS2R Q9UKP6 3/20 0.44
PTK6 Q13882 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
S1PR1 P21453 1/20 0.43

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 1.00 ALK (1.00) ALKKDM4EGLAMAPTMEN1
SCHEMBL676447 0.87 ALK (0.77) ALKKDM4EGLAMAPTMEN1
SCHEMBL676184 0.74 ALK (0.64) ALK
(Z)-1,2-Diphenylethene SCHEMBL27647970 0.72 ALDH1A1 (0.67) ALKKDM4EGLAMAPTMEN1
(Z)-1,2-Diphenylethene SCHEMBL4393598 0.72 ALDH1A1 (0.67) ALKKDM4EGLAMAPTMEN1
(Z)-1,2-Diphenylethene SCHEMBL4393600 0.72 ALDH1A1 (0.67) ALKKDM4EGLAMAPTMEN1
SCHEMBL676373 0.72 ALK (0.76) ALKKDM4EGLANPC1RAB9A
SCHEMBL3669223 0.71 ALK (0.56) ALKKDM4EGLAMAPTMEN1
SCHEMBL677972 0.71 ALK (0.55) ALKKDM4EGLAMAPTMEN1
SCHEMBL675813 0.71 ALK (0.55) ALKKDM4EGLAMAPTMEN1

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 6 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-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
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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 1/4885KDM4E 2789/4885GLA 3517/4885

“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.