SCHEMBL676239

SCHEMBL676239

CCN(CC)CCSCC(=O)c1ccc2[nH]c3nc(Nc4cccc([N+](=O)[O-])c4)ccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.46
ERBB2 P04626 2/20 0.46
MAPT P10636 5/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 7/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ROCK1 Q13464 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDR P35968 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL678686 0.77 TERT (0.35) MAPTHPGDRAB9AALDH1A1HTT
SCHEMBL675373 0.75 PTK6 (0.49) PTK6ERBB2MAPTALDH1A1KMT2A
SCHEMBL675511 0.73 PTK6 (0.61) PTK6ERBB2MAPTALDH1A1KMT2A
SCHEMBL676105 0.70 KMT2A (0.36) PTK6ERBB2MAPTHPGDALDH1A1
SCHEMBL675372 0.69 NFE2L2 (0.48) PTK6ERBB2MAPTNPC1RAB9A
SCHEMBL3665281 0.68 KDM4E (0.39) HPGDALDH1A1MEN1KMT2A
SCHEMBL3668046 0.68 ERBB2 (0.41) PTK6ERBB2NPC1RAB9ABRAF
SCHEMBL678859 0.65 KDM4E (0.44) PTK6ERBB2MAPTHPGDNPC1
Diethylamine SCHEMBL3664811 0.61 HDAC3 (0.35) PTK6ERBB2MAPTNPC1RAB9A
SCHEMBL7913072 0.61 KMT2A (0.63) MAPTNPC1ALDH1A1HTTLMNA

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 8 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-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
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 PTK6 2466/4885ERBB2 156/4885MAPT 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.