SCHEMBL676828

SCHEMBL676828

c1cc(-c2ccc(CN3CCOCC3)cc2)c2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.59
LRRK2 Q5S007 1/20 0.58
JAK2 O60674 1/20 0.56
CHEK1 O14757 1/20 0.52
ACHE P22303 1/20 0.52
CAMKK2 Q96RR4 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL3667665 0.89 ALK (0.61) ALKLRRK2JAK2CHEK1ACHE
SCHEMBL3723321 0.82 ALK (0.50) ALKLRRK2JAK2CHEK1ACHE
SCHEMBL675458 0.81 JAK2 (0.51) ALKLRRK2JAK2CHEK1ACHE
SCHEMBL676518 0.81 ALK (0.48) ALKLRRK2CAMKK2
SCHEMBL675457 0.79 JAK2 (0.48) ALKLRRK2JAK2CHEK1ACHE
SCHEMBL676204 0.79 CHEK1 (0.67) JAK2CHEK1ACHEHRH3
SCHEMBL676734 0.79 ALK (0.49) ALKJAK2CHEK1ACHE
SCHEMBL676735 0.79 ALK (0.49) ALKJAK2CHEK1ACHE
SCHEMBL675719 0.77 JAK2 (0.57) JAK2CHEK1ACHEHRH3
SCHEMBL3662982 0.77 JAK2 (0.57) ALKJAK2CHEK1ACHEHRH3

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 ALK 1/4885LRRK2 768/4885JAK2 201/4885

“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.