SCHEMBL676133

SCHEMBL676133

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
ERBB2 P04626 1/20 0.40
PTK6 Q13882 1/20 0.40
MAP2 P11137 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 3/20 0.38
PTGS2 P35354 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL676178 0.83 GRM5 (0.46) ERBB2PTK6TLR8TLR7MAPT
SCHEMBL675229 0.82 ERBB2 (0.53) ERBB2PTK6MAP2KMT2APOLB
SCHEMBL675507 0.81 ERBB2 (0.47) RIPK1ERBB2PTK6TLR8TLR7
SCHEMBL676064 0.81 RIPK1 (0.41) RIPK1ERBB2PTK6TLR8TLR7
SCHEMBL674892 0.80 KDM4E (0.48) ERBB2PTK6MAP2KMT2AHPGD
SCHEMBL675293 0.78 MAP2 (0.40) ERBB2PTK6MAP2KMT2AMAPT
SCHEMBL675713 0.77 TLR8 (0.46) RIPK1TLR8TLR7KMT2AMAPT
SCHEMBL16241843 0.77 MAP2 (0.39) ERBB2PTK6MAP2KMT2APTGS2
SCHEMBL674851 0.76 MAP2 (0.49) ERBB2PTK6MAP2KMT2AHPGD
SCHEMBL13463989 0.76 MAP2 (0.41) ERBB2PTK6MAP2KMT2AMAPT

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 RIPK1 1355/4885ERBB2 156/4885PTK6 2466/4885

“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.