SCHEMBL676856

SCHEMBL676856

CCCCC/C=C/c1ccnc2[nH]c3ccc(C(=O)CCC(=O)O)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.43
UTS2R Q9UKP6 3/20 0.39
PARP1 P09874 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
ERBB2 P04626 3/20 0.36
PTK6 Q13882 2/20 0.36
FAAH O00519 2/20 0.35
PDE5A O76074 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
CES1 P23141 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL676857 1.00 ALK (0.43) ALKUTS2RPARP1CYSLTR2CYSLTR1
SCHEMBL676740 0.86 ALK (0.51) ALKPARP1
SCHEMBL676739 0.86 ALK (0.51) ALKPARP1
SCHEMBL676230 0.83 CNR1 (0.51) ALKFAAH
SCHEMBL676231 0.83 CNR1 (0.51) ALKFAAH
SCHEMBL3424526 0.82 TBXAS1 (0.36) PARP1MMP2MMP12PPARG
SCHEMBL3424523 0.82 TBXAS1 (0.36) PARP1MMP2MMP12PPARG
SCHEMBL3721109 0.81 PARP1 (0.43) UTS2RPARP1ERBB2PTK6MMP2
SCHEMBL676501 0.80 LTB4R (0.43) PARP1MMP2MMP12PPARG
SCHEMBL676502 0.80 LTB4R (0.43) PARP1MMP2MMP12PPARG

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 4 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
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

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 ALK 1/4885UTS2R 4708/4885PARP1 1309/4885

“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.