SCHEMBL676333

SCHEMBL676333

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3ccc(OCCCN(C)C)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
MAOA P21397 1/20 0.39
LSS P48449 1/20 0.38
CHEK2 O96017 1/20 0.37
ATR Q13535 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM58 Q8NG06 1/20 0.35
ALOX5 P09917 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL676334 1.00 ATM (0.40) ATMMAOALSSCHEK2ATR
SCHEMBL676530 0.92 ATP4A (0.38) ESR1ESR2DRD2DRD3
SCHEMBL676529 0.92 ATP4A (0.38) ESR1ESR2DRD2DRD3
SCHEMBL677168 0.86 ALK (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL677169 0.86 ALK (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3432174 0.85 DRD3 (0.43) TLR7DRD3
SCHEMBL3432176 0.85 DRD3 (0.43) TLR7DRD3
SCHEMBL3725897 0.85 LSS (0.39) ATMMAOALSSCHEK2ATR
SCHEMBL3725895 0.85 LSS (0.39) ATMMAOALSSCHEK2ATR
SCHEMBL675136 0.83 ALK (0.37) KDM4ETRIM58

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 4 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
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 ATM 359/4885MAOA 4462/4885LSS 3391/4885

“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.