SCHEMBL675883

SCHEMBL675883

CCCCC(N)c1cnc2[nH]c3ccc(-c4ccc(OCCN5CCN(C)CC5)cc4)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
CHEK1 O14757 3/20 0.39
ACHE P22303 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
PRKCQ Q04759 4/20 0.38
PRKCD Q05655 4/20 0.38
HTR3A P46098 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALK Q9UM73 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
AGER Q15109 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3730836 0.86 DRD3 (0.43) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL674974 0.83 ALK (0.46) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL675723 0.83 CCNB2 (0.40) RAB9ANPC1CHEK1ALK
SCHEMBL3423182 0.83 HRH3 (0.40) DRD3CHEK1ACHEHRH3
SCHEMBL3433609 0.83 NPC1 (0.43) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL675056 0.81 HRH4 (0.52) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL3721483 0.81 NPC1 (0.41) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL3721481 0.81 NPC1 (0.41) RAB9ANPC1TLR8TLR7DRD3
SCHEMBL677177 0.80 GABRA1 (0.37) CHEK1ALK
SCHEMBL675884 0.78 NPC1 (0.42) RAB9ANPC1TLR8TLR7DRD3

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 RAB9A 2539/4885NPC1 239/4885TLR8 3806/4885

“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.