SCHEMBL676178

SCHEMBL676178

CCN(CC)C(=O)c1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
TLR9 Q9NR96 4/20 0.43
TLR8 Q9NR97 4/20 0.43
TLR7 Q9NYK1 4/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL676133 0.83 RIPK1 (0.41) TLR8TLR7ALDH1A1MAPTHPGD
SCHEMBL675229 0.82 ERBB2 (0.53) ALDH1A1ERBB2PTK6
SCHEMBL675341 0.81 TLR9 (0.50) GRM5HSP90AA1HSP90AB1TLR9TLR8
SCHEMBL674944 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1TLR9TLR8TLR7
SCHEMBL674892 0.80 KDM4E (0.48) ALDH1A1HPGDERBB2PTK6
SCHEMBL13463989 0.79 MAP2 (0.41) ALDH1A1MAPTHPGDERBB2PTK6
SCHEMBL674907 0.79 GSK3B (0.44) ALDH1A1HPGDERBB2PTK6UTS2R
SCHEMBL675293 0.78 MAP2 (0.40) ALDH1A1MAPTHPGDLMNAERBB2
SCHEMBL676104 0.77 KMT2A (0.36) ALDH1A1MAPTHPGDLMNAHDAC3
SCHEMBL676105 0.77 KMT2A (0.36) ALDH1A1MAPTHPGDLMNAERBB2

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 GRM5 3229/4885HSP90AA1 3653/4885HSP90AB1 2869/4885

“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.