SCHEMBL676278

SCHEMBL676278

CCC(N)CCc1ccc2c(n1)[nH]c1ccc(C(=O)CCC(=O)N3CCN(C)CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 13/20 0.40
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PARP1 P09874 3/20 0.37
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL3731930 0.88 HTT (0.41) HTTSMN1; SMN2HRH3PARP1PDE3B
SCHEMBL3724170 0.88 HTT (0.44) HTTSMN1; SMN2HRH3ADRA1AADRA1B
SCHEMBL3722441 0.86 HTT (0.44) HTTSMN1; SMN2HRH3PARP1PDE3B
SCHEMBL676999 0.86 L3MBTL1 (0.37) SMN1; SMN2PARP1MEN1KMT2A
SCHEMBL3724173 0.84 HTT (0.43) HTTSMN1; SMN2HRH3ADRA1AADRA1B
SCHEMBL674904 0.80 HTT (0.49) HTTSMN1; SMN2HRH3PARP1PDE3B
SCHEMBL3727415 0.79 MEN1 (0.44) MEN1KMT2A
SCHEMBL3724175 0.77 HTT (0.42) HTTSMN1; SMN2HRH3ADRA1AADRA1B
SCHEMBL676280 0.76 HTT (0.41) HTTSMN1; SMN2HRH3ADRA1AADRA1B
SCHEMBL3731938 0.76 HTT (0.41) HTTSMN1; SMN2ADRA1AADRA1BPARP1

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 3499/4885HRH3 485/4885

“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.