SCHEMBL674858

SCHEMBL674858

O=C(NCCc1ccc2[nH]c3nccc(-c4ccc(N5CCOCC5)cn4)c3c2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.46
BACE1 P56817 1/20 0.46
EGFR P00533 3/20 0.46
CDK2 P24941 3/20 0.46
KDM1A O60341 2/20 0.43
HDAC1 Q13547 2/20 0.43
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
FLT3 P36888 1/20 0.40

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
SCHEMBL675532 0.86 BACE1 (0.47) BACE1EGFRCDK2KDM1AHDAC1
SCHEMBL676323 0.85 BACE1 (0.47) BACE1EGFRCDK2KDM1AHDAC1
SCHEMBL676518 0.82 ALK (0.48) ALKKDM4E
SCHEMBL674591 0.77 ALK (0.50) ALKKDM4E
SCHEMBL675294 0.77 ALK (0.58) ALK
SCHEMBL676086 0.77 ALDH1A1 (0.48) SNCAKDM4EPOLB
SCHEMBL674590 0.76 KDM5B (0.44) ALKKDM4E
SCHEMBL675879 0.75 KDM5B (0.48) SNCAKDM4EPOLB
SCHEMBL676129 0.73 KMT2A (0.51) ALKKDM4E
SCHEMBL22011144 0.72 MAPK1 (0.47) BACE1SNCAKDM4E

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 1/4885BACE1 554/4885EGFR 226/4885

“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.