SCHEMBL676739

SCHEMBL676739

CCCCC/C=C/c1ccnc2[nH]c3ccc(C(=O)CCC(=O)N4CCN(C)CC4)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.51
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
PARP1 P09874 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL676740 1.00 ALK (0.51) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL676856 0.86 ALK (0.43) ALKPARP1
SCHEMBL676857 0.86 ALK (0.43) ALKPARP1
SCHEMBL3723793 0.85 PARP1 (0.43) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL3722700 0.84 HTT (0.41) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL3722697 0.84 HTT (0.41) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL675861 0.83 HTT (0.41) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL675862 0.83 HTT (0.41) ALKHTTSMN1; SMN2HRH2HRH1
SCHEMBL676232 0.81 ALK (0.53) ALKHTTSMN1; SMN2PARP1
SCHEMBL676231 0.79 CNR1 (0.51) ALKTRPV1

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 ALK 1/4885HTT 4100/4885SMN1; SMN2 3499/4885

“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.