SCHEMBL676884

SCHEMBL676884

NCCCCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(N4CCOCC4)cn3)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.42
MAPT P10636 4/20 0.42
KDR P35968 1/20 0.41
CHEK1 O14757 1/20 0.41
ZAP70 P43403 1/20 0.41
JAK2 O60674 4/20 0.40
ALK Q9UM73 1/20 0.38
MAP3K11 Q16584 1/20 0.37
FLT3 P36888 1/20 0.36
XDH P47989 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
SCHEMBL3724411 0.90 MAPT (0.42) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL676473 0.87 MAPT (0.40) SYKMAPTCHEK1JAK2ALK
SCHEMBL676452 0.85 CHEK1 (0.47) SYKMAPTKDRCHEK1ZAP70
SCHEMBL676454 0.84 MAPT (0.41) SYKMAPTCHEK1JAK2ALK
SCHEMBL674333 0.83 MAPT (0.53) SYKMAPTCHEK1JAK2ALK
SCHEMBL676471 0.83 ALK (0.45) SYKMAPTKDRCHEK1JAK2
SCHEMBL676886 0.81 MAPT (0.40) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL3666284 0.81 MAPT (0.48) MAPTCHEK1JAK2ALKMAP3K11
SCHEMBL676472 0.80 ALK (0.41) MAPTCHEK1ZAP70JAK2ALK
SCHEMBL675875 0.79 JAK2 (0.52) CHEK1JAK2ALK

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 SYK 42/4885MAPT 1494/4885KDR 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.