SCHEMBL676241

SCHEMBL676241

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(-c3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALK Q9UM73 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL676242 1.00 PGR (0.41) PGRADORA2AADORA1MAPTALDH1A1
SCHEMBL675137 0.85 ALK (0.37) ALKMMP13
SCHEMBL675136 0.85 ALK (0.37) ALKMMP13
SCHEMBL3724572 0.84 ALDH1A1 (0.40) PGRMAPTALDH1A1TDP1ALK
SCHEMBL3724571 0.84 ALDH1A1 (0.40) PGRMAPTALDH1A1TDP1ALK
SCHEMBL3720944 0.82 PGR (0.44) PGRADORA2AADORA1MAPTALDH1A1
SCHEMBL676225 0.81 ALK (0.47) PGRALKDRD2HTR2AHTR2C
SCHEMBL676224 0.81 ALK (0.47) PGRALKDRD2HTR2AHTR2C
SCHEMBL677168 0.79 ALK (0.42) MAPTALDH1A1ALKMEN1RAB9A
SCHEMBL677169 0.79 ALK (0.42) MAPTALDH1A1ALKMEN1RAB9A

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.