SCHEMBL4110772

SCHEMBL4110772

C#Cc1ccc(CN2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.69
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2D6 P10635 2/20 0.53
RORC P51449 1/20 0.53
LTA4H P09960 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MCHR1 Q99705 1/20 0.47
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL20577290 0.86 HRH3 (0.50) HRH3MEN1KMT2ATSHRL3MBTL1
SCHEMBL20577088 0.81 VEGFA (0.52) HRH3MEN1KMT2AL3MBTL1CHRM1
SCHEMBL29056068 0.81 HRH3 (0.78) HRH3MEN1KMT2AATMCYP1A2
SCHEMBL8122521 0.81 HRH3 (0.78) HRH3MEN1KMT2AATMCYP1A2
SCHEMBL321890 0.81 HRH3 (0.78) HRH3MEN1KMT2AATMCYP1A2
SCHEMBL3239820 0.81 HRH3 (0.78) HRH3MEN1KMT2AATMTSHR
SCHEMBL1927730 0.80 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
Hydrochloric Acid SCHEMBL7599251 0.80 HRH3 (0.88) HRH3MEN1KMT2AATMCYP2D6
SCHEMBL1481137 0.80 HRH3 (0.76) HRH3MEN1KMT2AATMCYP2D6
SCHEMBL7475322 0.80 HRH3 (0.76) HRH3MEN1KMT2AATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 HRH3 1458/4885MEN1 2646/4885KMT2A 1031/4885

“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.