SCHEMBL676066

SCHEMBL676066

CN(C)CCCOc1ccc(-c2ccc3[nH]c4nccc(Cl)c4c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.53
MAOA P21397 2/20 0.47
LSS P48449 1/20 0.46
CXCR1 P25024 1/20 0.43
ACHE P22303 1/20 0.42
BRAF P15056 2/20 0.42
ALOX5 P09917 1/20 0.41
CHEK2 O96017 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL675823 0.89 ALK (0.51) ALKACHEKDM4E
SCHEMBL3727917 0.83 MAOA (0.44) ALKMAOALSSALOX5CHEK2
SCHEMBL3399377 0.81 LSS (0.47) MAOALSSCXCR1ACHEALOX5
SCHEMBL3668987 0.81 ALK (0.61) ALK
SCHEMBL3399324 0.81 ALK (0.42) ALKMAOAACHEBRAF
SCHEMBL675184 0.80 LSS (0.46) MAOALSSCXCR1ACHEBRAF
SCHEMBL675708 0.79 ALK (0.68) ALKCXCR1
SCHEMBL675900 0.79 ALK (0.50) ALKMAOALSSCHEK2ATM
SCHEMBL675901 0.79 ALK (0.50) ALKMAOALSSCHEK2ATM
SCHEMBL676245 0.76 ALK (0.62) ALK

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 1/4885MAOA 4462/4885LSS 3391/4885

“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.