SCHEMBL676790

SCHEMBL676790

CCC(N)CCc1ccc2c(n1)[nH]c1ccc(-c3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALK Q9UM73 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL674782 0.87 PGR (0.42) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL677180 0.85 JAK2 (0.36) ADORA2AADORA1ALK
SCHEMBL3720944 0.85 PGR (0.44) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL674780 0.82 PGR (0.41) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL674779 0.80 PGR (0.42) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL675726 0.79 ALK (0.39) HTR2CALKMAPTMEN1KMT2A
SCHEMBL675584 0.77 GABRA1 (0.41)
SCHEMBL674781 0.73 TLR8 (0.42) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL676789 0.73 PGR (0.40) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL3423190 0.73 HRH3 (0.40) DRD2

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.