SCHEMBL676783

SCHEMBL676783

C(=Cc1cnc2[nH]c3ccc(-c4ccc(N5CCOCC5)cn4)cc3c2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.49
ALK Q9UM73 8/20 0.47
MAPT P10636 3/20 0.40
GSK3B P49841 1/20 0.39
MAP3K11 Q16584 1/20 0.39
ACHE P22303 2/20 0.39
KIF11 P52732 2/20 0.39
CDC7 O00311 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL677985 1.00 CHEK1 (0.49) CHEK1ALKMAPTGSK3BMAP3K11
SCHEMBL3724508 0.84 CHEK1 (0.45) CHEK1ALKMAPTMAP3K11ACHE
SCHEMBL3724510 0.84 CHEK1 (0.45) CHEK1ALKMAPTMAP3K11ACHE
SCHEMBL675791 0.83 CHEK1 (0.55) CHEK1ALKMAPTMAP3K11ACHE
SCHEMBL13464041 0.82 CHEK1 (0.54) CHEK1ALKMAPTMAP3K11ACHE
SCHEMBL676784 0.82 CHEK1 (0.48) CHEK1ALKMAP3K11ACHEKIF11
SCHEMBL678863 0.79 CHEK1 (0.59) CHEK1ALKGSK3BACHE
SCHEMBL674540 0.79 CHEK1 (0.59) CHEK1ALKGSK3BACHE
SCHEMBL674333 0.78 MAPT (0.53) CHEK1ALKMAPTMAP3K11
SCHEMBL3726326 0.78 CHEK1 (0.48) CHEK1ALKMAPTMAP3K11ACHE

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 1744/4885ALK 1/4885MAPT 1494/4885

“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.