SCHEMBL674720

SCHEMBL674720

CCN(CC)C(=O)c1ccc2[nH]c3nc(C)ccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.49
TLR7 Q9NYK1 5/20 0.49
TLR9 Q9NR96 4/20 0.49
HPGD P15428 6/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
GNRHR P30968 3/20 0.43
ITK Q08881 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL674944 0.86 HSP90AA1 (0.46) TLR8TLR7TLR9HPGDALDH1A1
SCHEMBL675713 0.82 TLR8 (0.46) TLR8TLR7TLR9HPGDALDH1A1
SCHEMBL675071 0.81 KIF11 (0.58) TLR8TLR7HPGDALDH1A1KDM4E
SCHEMBL675470 0.81 KDM4E (0.55) HPGDALDH1A1TDP1KDM4EHSP90AA1
SCHEMBL674852 0.80 KDM4E (0.43) TLR8TLR7HPGDALDH1A1SMN1; SMN2
SCHEMBL675477 0.77 RAB9A (0.51) HPGDALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL675170 0.77 KDM4E (0.42) TLR8TLR7HPGDALDH1A1SMN1; SMN2
SCHEMBL676178 0.77 GRM5 (0.46) TLR8TLR7TLR9HPGDALDH1A1
SCHEMBL675341 0.75 TLR9 (0.50) TLR8TLR7TLR9HPGDALDH1A1
SCHEMBL6763618 0.71 HSP90AA1 (0.51) HPGDALDH1A1LMNAITKSMN1; SMN2

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 TLR8 3806/4885TLR7 3780/4885TLR9 3374/4885

“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.