SCHEMBL676279

SCHEMBL676279

CN1CCN(C(=O)CCC(=O)c2ccc3[nH]c4ncc(CCCCCN)cc4c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.38
CHEK1 O14757 2/20 0.37
PARP1 P09874 5/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
FLT3 P36888 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
MCHR1 Q99705 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
ALK Q9UM73 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
SCHEMBL3728130 0.91 HTT (0.43) HTTSMN1; SMN2FAAHCHEK1PARP1
SCHEMBL3724173 0.84 HTT (0.43) HTTSMN1; SMN2PARP1PDE3BPDE3A
SCHEMBL677000 0.84 CYP1A2 (0.39) HTTPARP1
SCHEMBL3731934 0.83 PARP1 (0.42) HTTSMN1; SMN2PARP1PDE3BPDE3A
SCHEMBL675016 0.83 HTT (0.48) HTTSMN1; SMN2CHEK1PARP1HRH1
SCHEMBL3727411 0.78 MEN1 (0.42)
SCHEMBL3722697 0.77 HTT (0.41) HTTSMN1; SMN2PARP1PDE3BPDE3A
SCHEMBL3722700 0.77 HTT (0.41) HTTSMN1; SMN2PARP1PDE3BPDE3A
SCHEMBL3724175 0.77 HTT (0.42) HTTSMN1; SMN2PARP1PDE3BPDE3A
SCHEMBL676280 0.76 HTT (0.41) HTTSMN1; SMN2PARP1PDE3BPDE3A

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 3 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
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 HTT 4100/4885SMN1; SMN2 3499/4885FAAH 3200/4885

“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.