SCHEMBL677180

SCHEMBL677180

CCC(N)CCc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
ALK Q9UM73 3/20 0.35
GSK3B P49841 2/20 0.35
GSK3A P49840 1/20 0.35
AXL P30530 1/20 0.34
SYK P43405 1/20 0.34
CA5A P35218 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GABRA4 P48169 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL675726 0.89 ALK (0.39) ALKMTNR1AMTNR1B
SCHEMBL676790 0.85 PGR (0.42) ALKADORA2AADORA1
SCHEMBL675733 0.84 JAK2 (0.36) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL676203 0.84 GSK3B (0.37) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL675584 0.84 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL676564 0.84 IP6K1 (0.37) ALKCA5A
SCHEMBL3423190 0.82 HRH3 (0.40) GSK3A
SCHEMBL3722217 0.81 GABRP (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL676493 0.81 JAK2 (0.49) JAK2ALK
SCHEMBL675886 0.80 TLR8 (0.42) ALK

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 JAK2 201/4885GABRA1 1267/4885GABRG2 1007/4885

“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.