SCHEMBL17797602

SCHEMBL17797602

[2H]CN1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.47
PNMT P11086 6/20 0.44
ADRA2A P08913 4/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL29945643 0.88 DPP7 (0.50) DPP7PNMTADRA2AADRA2BADRA2C
SCHEMBL29558059 0.80 ADRA2A (0.51) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL324724 0.80 ADRA2A (0.51) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL20232216 0.79 MAOA (0.50) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL29990004 0.79 MAOA (0.50) PNMTADRA2AMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7832321 0.79 ADRA2A (0.50) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL1952321 0.78 LMNA (0.50) DPP7PNMTADRA2AMEN1MAPT
SCHEMBL2246314 0.77 DPP7 (0.53) DPP7PNMTADRA2AADRA2BADRA2C
SCHEMBL17797505 0.77 DPP7 (0.47) DPP7PNMTADRA2AADRA2BADRA2C
SCHEMBL22898424 0.75 LMNA (0.51) DPP7PNMTADRA2AADRA2BADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO 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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DPP7 98/4885PNMT 2016/4885ADRA2A 726/4885

“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.