SCHEMBL676020

SCHEMBL676020

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3ccc(N4CCOCC4)cn3)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALK Q9UM73 8/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHEK1 O14757 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TERT O14746 1/20 0.36
MAP3K11 Q16584 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
SCHEMBL676021 1.00 MAPT (0.40) MAPTALKKDM4EALDH1A1CHEK1
SCHEMBL3724508 0.87 CHEK1 (0.45) MAPTALKKDM4EALDH1A1CHEK1
SCHEMBL3724510 0.87 CHEK1 (0.45) MAPTALKKDM4EALDH1A1CHEK1
SCHEMBL3724411 0.84 MAPT (0.42) MAPTALKKDM4EALDH1A1CHEK1
SCHEMBL3726313 0.84 ALK (0.50) ALK
SCHEMBL3726310 0.84 ALK (0.50) ALK
SCHEMBL674333 0.81 MAPT (0.53) MAPTALKCHEK1MAP3K11
SCHEMBL676536 0.80 JAK2 (0.46) ALKCHEK1MEN1KMT2A
SCHEMBL676535 0.80 JAK2 (0.46) ALKCHEK1MEN1KMT2A
SCHEMBL676883 0.80 MAPT (0.40) MAPTALKKDM4EALDH1A1CHEK1

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 1494/4885ALK 1/4885KDM4E 2789/4885

“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.