SCHEMBL676452

SCHEMBL676452

NCCCCCc1cnc2[nH]c3ccc(-c4ccc(N5CCOCC5)cn4)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.47
SYK P43405 4/20 0.41
KDR P35968 1/20 0.40
ACHE P22303 4/20 0.39
MAP3K11 Q16584 2/20 0.38
ALK Q9UM73 1/20 0.37
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
RPS6KA3 P51812 1/20 0.36
ZAP70 P43403 1/20 0.36
MAPT P10636 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
SCHEMBL3726326 0.90 CHEK1 (0.48) CHEK1ACHEMAP3K11ALKIL2
SCHEMBL676884 0.85 SYK (0.42) CHEK1SYKKDRMAP3K11ALK
SCHEMBL676471 0.83 ALK (0.45) CHEK1SYKKDRALKMAPT
SCHEMBL675791 0.81 CHEK1 (0.55) CHEK1ACHEMAP3K11ALKIL2
SCHEMBL676491 0.81 CHEK1 (0.58) CHEK1ACHE
SCHEMBL13464041 0.80 CHEK1 (0.54) CHEK1ACHEMAP3K11ALKIL2
SCHEMBL677985 0.78 CHEK1 (0.49) CHEK1ACHEMAP3K11ALKMAPT
SCHEMBL676783 0.78 CHEK1 (0.49) CHEK1ACHEMAP3K11ALKMAPT
SCHEMBL676451 0.77 CHEK1 (0.45) CHEK1ACHEMAP3K11ALKIL2
SCHEMBL676885 0.77 CHEK1 (0.41) CHEK1SYKKDRMAP3K11ALK

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 1744/4885SYK 42/4885KDR 216/4885

“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.