SCHEMBL674976

SCHEMBL674976

CCCCCc1cc(N)c2c(n1)[nH]c1ccc(-c3ccc(OCCN4CCN(C)CC4)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALK Q9UM73 7/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AGER Q15109 2/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CXCR1 P25024 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL3434232 0.88 DRD3 (0.46) DRD3HRH4ALKNPC1RAB9A
SCHEMBL675885 0.85 DRD3 (0.43) DRD3HRH4ALKNPC1RAB9A
SCHEMBL3433578 0.83 ALK (0.49) DRD3HRH4ALKNPC1RAB9A
SCHEMBL3730839 0.83 DRD3 (0.43) DRD3HRH4ALKNPC1RAB9A
SCHEMBL3722600 0.82 AGER (0.40) AGER
SCHEMBL676481 0.82 HRH2 (0.49) ALKTLR8
SCHEMBL3730838 0.81 DRD3 (0.44) DRD3HRH4ALKNPC1RAB9A
SCHEMBL3433609 0.80 NPC1 (0.43) DRD3HRH4ALKNPC1RAB9A
SCHEMBL675732 0.79 KDM4E (0.43) ALKTLR8
SCHEMBL674977 0.78 DRD3 (0.43) DRD3HRH4ALKNPC1RAB9A

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 DRD3 3028/4885HRH4 1094/4885ALK 1/4885

“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.