SCHEMBL677177

SCHEMBL677177

CCCCC(N)c1cnc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRA6 Q16445 4/20 0.37
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRE P78334 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
IDO1 P14902 1/20 0.36
JAK2 O60674 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
SCHEMBL675723 0.89 CCNB2 (0.40) GSK3AGSK3BALKCYP1A2CHEK1
SCHEMBL676787 0.85 PGR (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL675581 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL676561 0.84 IP6K1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3423182 0.83 HRH3 (0.40) KDM4ECHEK1
SCHEMBL676490 0.81 CHEK1 (0.54) JAK2CHEK1
SCHEMBL675883 0.80 RAB9A (0.41) ALKCHEK1
SCHEMBL676200 0.79 GSK3B (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL675730 0.78 ALK (0.45) GSK3AGSK3BALK
SCHEMBL3729596 0.77 CTSV (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 1267/4885GABRG2 1007/4885GABRB3 1343/4885

“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.