SCHEMBL9918209

SCHEMBL9918209

CCC(CC#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ACP3 P15309 1/20 0.43
ACHE P22303 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 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
SCHEMBL9918837 0.86 PYCR1 (0.46) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL171673 0.82 KMT2A (0.53) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL19592266 0.82 L3MBTL1 (0.45) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL3050984 0.81 TSHR (0.48) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL20921403 0.81 TSHR (0.48) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL3060638 0.81 L3MBTL1 (0.51) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL8730296 0.81 TSHR (0.48) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL12251258 0.80 L3MBTL1 (0.48) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL4657724 0.79 ALDH1A1 (0.48) HTTL3MBTL1KMT2AMEN1HPGD
SCHEMBL2151208 0.79 L3MBTL1 (0.57) HTTL3MBTL1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 4142/4885L3MBTL1 4676/4885KMT2A 628/4885

“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.