SCHEMBL676885

SCHEMBL676885

CCCCCc1cc2c(nc1N)[nH]c1ccc(-c3ccc(N4CCOCC4)cn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.41
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
ALK Q9UM73 1/20 0.37
XDH P47989 1/20 0.37
MAP3K11 Q16584 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PDPK1 O15530 1/20 0.35
MERTK Q12866 1/20 0.35
ADK P55263 1/20 0.35
IL2 P60568 1/20 0.35
MAP4K1 Q92918 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
SCHEMBL676453 0.88 CHEK1 (0.41) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL3724411 0.85 MAPT (0.42) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL3726326 0.84 CHEK1 (0.48) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL676472 0.84 ALK (0.41) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL3724154 0.84 ALK (0.47) MAPTALKJAK2
SCHEMBL675876 0.79 JAK2 (0.55) CHEK1MEN1KMT2ATLR7ALK
SCHEMBL676883 0.79 MAPT (0.40) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL676021 0.79 MAPT (0.40) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL676020 0.79 MAPT (0.40) CHEK1MAPTKDM4EALDH1A1MEN1
SCHEMBL3724510 0.78 CHEK1 (0.45) CHEK1MAPTKDM4EALDH1A1MEN1

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 CHEK1 1744/4885MAPT 1494/4885KDM4E 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.