SCHEMBL675247

SCHEMBL675247

C(=Cc1ccc2c(n1)[nH]c1ccccc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
ALK Q9UM73 1/20 0.51
KDM4E B2RXH2 8/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
PKM P14618 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 1/20 0.44
GRM4 Q14833 4/20 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
SCHEMBL677979 1.00 CA5A (0.53) CA5AALKKDM4ERAB9ANPC1
SCHEMBL676476 0.87 IP6K1 (0.44) CA5AALKKDM4ERAB9ANPC1
(Z)-1,2-Diphenylethene SCHEMBL4393598 0.77 ALDH1A1 (0.67) ALKKDM4ERAB9ANPC1MEN1
(Z)-1,2-Diphenylethene SCHEMBL27647970 0.77 ALDH1A1 (0.67) ALKKDM4ERAB9ANPC1MEN1
(Z)-1,2-Diphenylethene SCHEMBL4393600 0.77 ALDH1A1 (0.67) ALKKDM4ERAB9ANPC1MEN1
SCHEMBL676243 0.74 RELA (0.47) ALKKDM4ERAB9ANPC1ALDH1A1
SCHEMBL677972 0.72 ALK (0.55) ALKKDM4ERAB9ANPC1MEN1
SCHEMBL675813 0.72 ALK (0.55) ALKKDM4ERAB9ANPC1MEN1
SCHEMBL10644733 0.71 GABRP (0.54) ALKKDM4ERAB9ANPC1MEN1
SCHEMBL10644737 0.71 GABRP (0.54) ALKKDM4ERAB9ANPC1MEN1

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 CA5A 1904/4885ALK 1/4885KDM4E 2789/4885

“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.