SCHEMBL674333

SCHEMBL674333

c1cc2[nH]c3nc(-c4ccc(N5CCOCC5)cn4)ccc3c2cc1-c1ccc(N2CCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CHEK1 O14757 1/20 0.48
ALK Q9UM73 4/20 0.44
MAP3K11 Q16584 2/20 0.43
JAK2 O60674 2/20 0.42
XDH P47989 1/20 0.41
IL2 P60568 1/20 0.40
MAP4K1 Q92918 1/20 0.40
MAPK10 P53779 1/20 0.40
SYK P43405 1/20 0.39
BTK Q06187 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3666284 0.91 MAPT (0.48) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL3724411 0.84 MAPT (0.42) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL675791 0.84 CHEK1 (0.55) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL676884 0.83 SYK (0.42) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL13464041 0.83 CHEK1 (0.54) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL676473 0.81 MAPT (0.40) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL676883 0.81 MAPT (0.40) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL676454 0.81 MAPT (0.41) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL676886 0.81 MAPT (0.40) MAPTCHEK1ALKMAP3K11JAK2
SCHEMBL675294 0.81 ALK (0.58) MAPTCHEK1ALKJAK2

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 2 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

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 MAPT 1494/4885CHEK1 1744/4885ALK 1/4885

“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.