SCHEMBL676789

SCHEMBL676789

CCCCCc1nc2[nH]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3c2cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
KCNH2 Q12809 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.39
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
EIF4A1 P60842 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL674781 0.87 TLR8 (0.42) PGRKCNH2ADORA2AADORA1DRD2
SCHEMBL677179 0.85 DHFR (0.42) MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL3720944 0.83 PGR (0.44) PGRKCNH2ADORA2AADORA1DRD2
SCHEMBL3724337 0.82 PGR (0.44) PGRKCNH2DRD2HTR2AHTR2C
SCHEMBL675725 0.78 CCNB2 (0.42) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL3724301 0.77 ALK (0.49) PGRKCNH2DRD2HTR2AHTR2C
SCHEMBL674779 0.77 PGR (0.42) PGRADORA2AADORA1DRD2HTR2A
SCHEMBL675583 0.77 CNR2 (0.42) KCNH2ADORA2AADORA1ALDH1A1HTT
SCHEMBL676242 0.76 PGR (0.41) PGRKCNH2ADORA2AADORA1DRD2
SCHEMBL676241 0.76 PGR (0.41) PGRKCNH2ADORA2AADORA1DRD2

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 2572/4885KCNH2 2836/4885ADORA2A 4167/4885

“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.