SCHEMBL676105

SCHEMBL676105

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
MAP2 P11137 1/20 0.33
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
BRAF P15056 1/20 0.33
TERT O14746 1/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
CCKBR P32239 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
TSPO P30536 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL675928 0.90 KDM4E (0.39) KMT2AALDH1A1MAPTHPGDRECQL
SCHEMBL678686 0.84 TERT (0.35) KMT2AALDH1A1MEN1TSHRPARP1
SCHEMBL676913 0.83 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3668046 0.83 ERBB2 (0.41) PARP1ERBB2PTK6BRAFUTS2R
Diethylamine SCHEMBL676106 0.82 ERBB2 (0.37) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL675926 0.81 KMT2A (0.35) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL676104 0.80 KMT2A (0.36) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL675929 0.80 MAP2 (0.36) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL674897 0.79 PKM (0.41) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL674907 0.78 GSK3B (0.44) KMT2AALDH1A1PARP1HPGDMAP2

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 12 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-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-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
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
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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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
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 KMT2A 492/4885ALDH1A1 749/4885MEN1 1324/4885

“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.