SCHEMBL674975

SCHEMBL674975

CN1CCN(CCOc2ccc(-c3ccc4[nH]c5nccc(CCCCCN)c5c4c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL3433578 0.91 ALK (0.49) ALKNPC1RAB9A
SCHEMBL3730838 0.83 DRD3 (0.44) ALKNPC1RAB9AHTR1AHTR1D
SCHEMBL675884 0.83 NPC1 (0.42) ALKNPC1RAB9AHTR1AHTR1D
SCHEMBL676480 0.82 ALK (0.53) ALKHTR1D
SCHEMBL675708 0.82 ALK (0.68) ALK
SCHEMBL3722598 0.81 ALK (0.38) ALK
SCHEMBL675731 0.78 ALK (0.45) ALK
SCHEMBL674974 0.78 ALK (0.46) ALKNPC1RAB9A
SCHEMBL674976 0.77 DRD3 (0.43) ALKNPC1RAB9A
SCHEMBL3730839 0.77 DRD3 (0.43) ALKNPC1RAB9AHTR1AHTR1D

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 1/4885NPC1 239/4885RAB9A 2539/4885

“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.