SCHEMBL676258

SCHEMBL676258

CN1CCN(CCOc2ccc(-c3ccc4[nH]c5nc(Cl)ccc5c4c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.52
DRD3 P35462 1/20 0.48
CXCR1 P25024 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALK Q9UM73 3/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
ACHE P22303 2/20 0.45
TBK1 Q9UHD2 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL675056 0.86 HRH4 (0.52) HRH4DRD3CXCR1NPC1RAB9A
SCHEMBL675708 0.83 ALK (0.68) HRH4CXCR1ALK
SCHEMBL3434232 0.83 DRD3 (0.46) HRH4DRD3NPC1RAB9AALK
SCHEMBL3730838 0.81 DRD3 (0.44) HRH4DRD3CXCR1NPC1RAB9A
SCHEMBL675886 0.81 TLR8 (0.42) HRH4DRD3CXCR1NPC1RAB9A
SCHEMBL675184 0.80 LSS (0.46) CXCR1TLR7ACHE
SCHEMBL674977 0.80 DRD3 (0.43) HRH4DRD3CXCR1NPC1RAB9A
SCHEMBL675885 0.80 DRD3 (0.43) HRH4DRD3NPC1RAB9AALK
SCHEMBL3730842 0.80 TLR8 (0.41) HRH4DRD3CXCR1NPC1RAB9A
SCHEMBL3432176 0.80 DRD3 (0.43) HRH4DRD3NPC1RAB9AALK

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 HRH4 1094/4885DRD3 3028/4885CXCR1 355/4885

“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.