SCHEMBL676323

SCHEMBL676323

O=C(NCCc1ccc2[nH]c3ncc(-c4ccc(N5CCOCC5)cn4)cc3c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
EGFR P00533 3/20 0.46
CDK2 P24941 3/20 0.46
SNCA P37840 1/20 0.45
CHEK1 O14757 2/20 0.43
HPGDS O60760 1/20 0.42
HDAC1 Q13547 3/20 0.42
KDM1A O60341 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 3/20 0.40
MAPT P10636 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 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
SCHEMBL675532 0.88 BACE1 (0.47) BACE1EGFRCDK2SNCAHPGDS
SCHEMBL674858 0.85 ALK (0.46) BACE1EGFRCDK2SNCAHDAC1
SCHEMBL675264 0.83 CHEK1 (0.56) CHEK1HPGDSHDAC1KDM4ECD274
SCHEMBL674809 0.79 HIF1A (0.48) SNCACHEK1
SCHEMBL674808 0.78 SNCA (0.42) SNCAKDM4ECNR1HPGD
SCHEMBL676784 0.77 CHEK1 (0.48) CHEK1
SCHEMBL675639 0.77 ALDH1A1 (0.46) SNCAKDM4EPOLBMAPTHPGD
SCHEMBL676908 0.76 CNR1 (0.52) SNCAPOLBCNR1MAPT
SCHEMBL676050 0.75 KDM4E (0.48) HPGDSHDAC1KDM4ECD274HPGD
SCHEMBL677985 0.75 CHEK1 (0.49) CHEK1KDM4EMAPT

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 BACE1 554/4885EGFR 226/4885CDK2 1129/4885

“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.