SCHEMBL676538

SCHEMBL676538

NCCCCCc1ccnc2[nH]c3ccc(C(=O)CCC(=O)O)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
ERBB2 P04626 4/20 0.38
PTK6 Q13882 3/20 0.38
MAP2K7 O14733 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HTR7 P34969 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
APEX1 P27695 1/20 0.34
UTS2R Q9UKP6 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1E P28566 1/20 0.32

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
SCHEMBL3721109 0.89 PARP1 (0.43) PARP1ERBB2PTK6CYP1A2MEN1
SCHEMBL3731934 0.84 PARP1 (0.42) PARP1ERBB2PTK6HTT
SCHEMBL677000 0.80 CYP1A2 (0.39) PARP1MAP2K7ITGB3ITGA2BHTR7
SCHEMBL675944 0.78 CYP1A2 (0.37) PARP1MAP2K7ITGB3ITGA2BHTR7
SCHEMBL675910 0.78 PARP1 (0.46) PARP1ERBB2PTK6CYP1A2UTS2R
SCHEMBL675731 0.76 ALK (0.45)
SCHEMBL3723793 0.74 PARP1 (0.43) PARP1MEN1HTTKMT2AUTS2R
SCHEMBL676275 0.74 ALK (0.46) MEN1KMT2AUTS2R
SCHEMBL678627 0.73 CYP1A2 (0.50) PARP1CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL3723842 0.72 CNR1 (0.46) MEN1ALDH1A1TP53KMT2A

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 PARP1 1309/4885ERBB2 156/4885PTK6 2466/4885

“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.