SCHEMBL674944

SCHEMBL674944

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
HPGD P15428 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TLR9 Q9NR96 5/20 0.44
TLR8 Q9NR97 5/20 0.44
TLR7 Q9NYK1 5/20 0.44
ITK Q08881 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GNRHR P30968 3/20 0.41
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL674720 0.86 TLR8 (0.49) HSP90AA1HSP90AB1HPGDALDH1A1LMNA
SCHEMBL676064 0.83 RIPK1 (0.41) HPGDALDH1A1LMNATLR9TLR8
SCHEMBL676178 0.81 GRM5 (0.46) HSP90AA1HSP90AB1HPGDALDH1A1LMNA
SCHEMBL676197 0.80 KIF11 (0.48) HSP90AA1HPGDALDH1A1LMNATSHR
SCHEMBL675341 0.79 TLR9 (0.50) HSP90AA1HSP90AB1HPGDALDH1A1LMNA
SCHEMBL676048 0.79 GSK3B (0.41) HPGDALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL675022 0.78 KIF11 (0.41) HPGDALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL3664810 0.77 MEN1 (0.33) HPGDALDH1A1LMNATLR9TLR8
SCHEMBL678686 0.77 TERT (0.35) HPGDALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL674652 0.77 CYP1A2 (0.43) HPGDALDH1A1LMNATSHR

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 HSP90AA1 3653/4885HSP90AB1 2869/4885HPGD 4079/4885

“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.