SCHEMBL676104

SCHEMBL676104

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 3/20 0.34
PTGS2 P35354 2/20 0.34
ABCC4 O15439 1/20 0.34
C5 P01031 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4D Q08499 1/20 0.34
CCKBR P32239 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAP2 P11137 1/20 0.33
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
HCRTR1 O43613 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 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
SCHEMBL3664810 0.84 MEN1 (0.33) KMT2AMAPTMEN1PTGS2ABCC4
SCHEMBL675927 0.84 MAP2 (0.36) KMT2AMAPTRECQLMEN1PTGS2
SCHEMBL3668044 0.83 ERBB2 (0.41) ERBB2PTK6RAB9AHDAC3HDAC4
SCHEMBL676105 0.80 KMT2A (0.36) KMT2AMAPTRECQLMEN1CCKBR
SCHEMBL675926 0.78 KMT2A (0.35) KMT2AMAPTRECQLMEN1CCKBR
Diethylamine SCHEMBL676106 0.78 ERBB2 (0.37) KMT2AMAPTRECQLMEN1CCKBR
SCHEMBL675928 0.78 KDM4E (0.39) KMT2AMAPTRECQLCCKBRALDH1A1
SCHEMBL676178 0.77 GRM5 (0.46) MAPTALDH1A1HPGDERBB2PTK6
SCHEMBL676157 0.76 CA1 (0.46) KMT2AMAPTRECQLMEN1CCKBR
SCHEMBL13463989 0.76 MAP2 (0.41) KMT2AMAPTRECQLCCKBRALDH1A1

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 KMT2A 492/4885MAPT 1494/4885RECQL 1012/4885

“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.