SCHEMBL975022

SCHEMBL975022

c1ccc2c(c1)NCCN2c1ccc(N2CCC(Oc3ccncc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ACACB O00763 1/20 0.38
EPHX2 P34913 2/20 0.38
NAMPT P43490 1/20 0.38
CYP11B2 P19099 1/20 0.37
PIM1 P11309 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
FFAR1 O14842 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL26089702 0.78 MKNK1 (0.49) MKNK1MKNK2PIM1ADRB2NCF1
SCHEMBL30910109 0.78 MKNK1 (0.49) MKNK1MKNK2PIM1ADRB2NCF1
SCHEMBL3659691 0.78 HSD11B1 (0.47) FFAR4ACACBEPHX2NAMPTFFAR1
SCHEMBL23379679 0.74 MEN1 (0.53) ACACBEPHX2CYP11B2PDE3BPDE3A
SCHEMBL973851 0.73 ACACB (0.45) FFAR4ACACBEPHX2NAMPTCYP11B2
SCHEMBL973913 0.72 GPR119 (0.43) FFAR4ACACBEPHX2NAMPTKDM1A
SCHEMBL5632543 0.72 CHKA (0.46) FFAR4ACACBKDM1AMAOBADRB2
SCHEMBL30910137 0.71 PIM1 (0.48) MKNK1MKNK2PIM1AVPR1A
SCHEMBL30910136 0.71 PIM1 (0.48) MKNK1MKNK2PIM1AVPR1A
SCHEMBL2330241 0.71 PIM1 (0.48) MKNK1MKNK2PIM1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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 (2 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT FFAR4 3515/4885MKNK1 1094/4885MKNK2 813/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT FFAR4 2761/4885MKNK1 2363/4885MKNK2 1931/4885

“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.