SCHEMBL676473

SCHEMBL676473

CC(N)CCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(N4CCOCC4)cn3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CHEK1 O14757 1/20 0.39
JAK2 O60674 4/20 0.38
ALK Q9UM73 4/20 0.38
TERT O14746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP3K11 Q16584 1/20 0.36
KCNH2 Q12809 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL676454 0.89 MAPT (0.41) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL3724411 0.88 MAPT (0.42) MAPTCHEK1JAK2ALKTERT
SCHEMBL676884 0.87 SYK (0.42) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL676886 0.85 MAPT (0.40) MAPTCHEK1JAK2ALKKDM4E
SCHEMBL676883 0.82 MAPT (0.40) MAPTCHEK1JAK2ALKTERT
SCHEMBL674333 0.81 MAPT (0.53) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL675460 0.80 JAK2 (0.49) CHEK1JAK2ALK
SCHEMBL3666284 0.79 MAPT (0.48) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL676472 0.78 ALK (0.41) MAPTCHEK1JAK2ALKKDM4E
SCHEMBL676451 0.76 CHEK1 (0.45) MAPTCHEK1JAK2ALKKDM4E

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 MAPT 1494/4885CHEK1 1744/4885JAK2 201/4885

“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.