SCHEMBL675726

SCHEMBL675726

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.39
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
DYRK1A Q13627 1/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL677180 0.89 JAK2 (0.36) ALKMTNR1AMTNR1B
SCHEMBL677055 0.87 ALK (0.37) ALKALDH1A1KDM4EKMT2AMEN1
SCHEMBL674941 0.86 ALK (0.38) ALKPRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL676482 0.86 ALK (0.38) ALKPRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL3423190 0.84 HRH3 (0.40) DYRK1AHRH3MAP4K4
SCHEMBL3724896 0.84 CCNB2 (0.44) ALKPRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL675886 0.82 TLR8 (0.42) ALKHRH4NPC1RAB9AHTR1A
SCHEMBL674939 0.82 ALK (0.39) ALKPRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL675584 0.81 GABRA1 (0.41) HRH4HRH3
SCHEMBL676790 0.79 PGR (0.42) ALKALDH1A1KMT2AMEN1MAPT

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 1/4885PRKAG1 473/4885PRKAA1 685/4885

“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.