SCHEMBL676784

SCHEMBL676784

C=C(c1ccccc1)c1cnc2[nH]c3ccc(-c4ccc(N5CCOCC5)cn4)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.48
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.42
ALK Q9UM73 6/20 0.39
MAP3K11 Q16584 2/20 0.38
KIF11 P52732 1/20 0.38
ACHE P22303 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
CBFB Q13951 1/20 0.37
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CSF1R P07333 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL675791 0.82 CHEK1 (0.55) CHEK1ALKMAP3K11ACHEIL2
SCHEMBL676783 0.82 CHEK1 (0.49) CHEK1ALKMAP3K11KIF11ACHE
SCHEMBL677985 0.82 CHEK1 (0.49) CHEK1ALKMAP3K11KIF11ACHE
SCHEMBL13464041 0.81 CHEK1 (0.54) CHEK1PIK3CAALKMAP3K11KIF11
SCHEMBL674541 0.79 CHEK1 (0.57) CHEK1ALKACHECSF1R
SCHEMBL674333 0.77 MAPT (0.53) CHEK1ALKMAP3K11IL2MAP4K1
SCHEMBL676323 0.77 BACE1 (0.47) CHEK1
SCHEMBL3726326 0.75 CHEK1 (0.48) CHEK1ALKMAP3K11ACHEIL2
SCHEMBL3666284 0.74 MAPT (0.48) CHEK1ALKMAP3K11IL2MAP4K1
SCHEMBL676452 0.74 CHEK1 (0.47) CHEK1ALKMAP3K11ACHEIL2

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 1744/4885AKT1 113/4885PIK3CA 1855/4885

“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.