SCHEMBL675929

SCHEMBL675929

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.36
SIRT1 Q96EB6 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
ERBB2 P04626 1/20 0.34
PTK6 Q13882 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA7 P43166 4/20 0.33
CA13 Q8N1Q1 4/20 0.33
CA6 P23280 3/20 0.33

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
SCHEMBL3665283 0.83 KIF11 (0.35) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL3668534 0.82 ERBB2 (0.42) MAPTKMT2AERBB2PTK6NPC1
SCHEMBL675926 0.82 KMT2A (0.35) MAP2MAPTKMT2ARECQLERBB2
Diethylamine SCHEMBL676106 0.82 ERBB2 (0.37) MAP2SIRT1MAPTKMT2ARECQL
SCHEMBL675928 0.81 KDM4E (0.39) MAP2MAPTKMT2ARECQLERBB2
SCHEMBL676913 0.81 ALDH1A1 (0.38) MAP2MAPTKMT2ARECQLERBB2
SCHEMBL676105 0.80 KMT2A (0.36) MAP2MAPTKMT2ARECQLERBB2
SCHEMBL675927 0.79 MAP2 (0.36) MAP2SIRT1MAPTKMT2ARECQL
SCHEMBL676157 0.78 CA1 (0.46) MAP2MAPTKMT2ARECQLNPC1
SCHEMBL13463989 0.77 MAP2 (0.41) MAP2MAPTKMT2ARECQLERBB2

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 MAP2 962/4885SIRT1 3313/4885MAPT 1494/4885

“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.