SCHEMBL674780

SCHEMBL674780

NCCCCCc1ccc2c(n1)[nH]c1ccc(-c3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 3/20 0.40
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
ALK Q9UM73 1/20 0.38
IDO1 P14902 1/20 0.37
LMNA P02545 1/20 0.37
HDAC1 Q13547 2/20 0.37

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
SCHEMBL3720944 0.89 PGR (0.44) PGRADORA2AADORA1MAPTMEN1
SCHEMBL676201 0.84 NPY1R (0.42) ALK
SCHEMBL676788 0.82 PGR (0.43) PGRMAPTSSTR1SSTR2SSTR3
SCHEMBL676790 0.82 PGR (0.42) PGRADORA2AADORA1MAPTMEN1
SCHEMBL674782 0.78 PGR (0.42) PGRADORA2AADORA1MAPTMEN1
SCHEMBL674939 0.76 ALK (0.39) MAPTMEN1KMT2AALKHDAC1
SCHEMBL675788 0.76 GABRA1 (0.39) ADORA2AADORA1ALK
SCHEMBL674781 0.75 TLR8 (0.42) PGRADORA2AADORA1MAPTDRD2
SCHEMBL676789 0.75 PGR (0.40) PGRADORA2AADORA1MAPTSSTR1
SCHEMBL674779 0.74 PGR (0.42) PGRADORA2AADORA1MAPTMEN1

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 PGR 2572/4885ADORA2A 4167/4885ADORA1 3186/4885

“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.