SCHEMBL973779

SCHEMBL973779

c1ccc2c(c1)NCCN2c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
F12 P00748 1/20 0.41
PIM1 P11309 1/20 0.39
PTPN11 Q06124 1/20 0.37
PDGFRB P09619 1/20 0.37
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ERBB2 P04626 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8509241 0.85 PTPN11 (0.41) LGMNF12PIM1PTPN11PDGFRB
SCHEMBL30910136 0.75 PIM1 (0.48) PIM1PTPN11KDM4ENPC1RAB9A
SCHEMBL30910137 0.75 PIM1 (0.48) PIM1PTPN11KDM4ENPC1RAB9A
SCHEMBL2330241 0.75 PIM1 (0.48) PIM1PTPN11KDM4ENPC1RAB9A
SCHEMBL30910118 0.74 PIM1 (0.45) PIM1USP2POLBALDH1A1SMN1; SMN2
SCHEMBL26089333 0.74 PIM1 (0.45) PIM1USP2POLBALDH1A1SMN1; SMN2
SCHEMBL612022 0.74 LMNA (0.55) LGMNF12USP2CYP2D6POLB
SCHEMBL26091114 0.73 PIM1 (0.44) PIM1CYP2D6ALDH1A1KDM4ETSHR
SCHEMBL30910098 0.73 PIM1 (0.44) PIM1CYP2D6ALDH1A1KDM4ETSHR
SCHEMBL6132758 0.73 LGMN (0.52) LGMNUSP2CYP2D6ALDH1A1LMNA

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 LGMN 632/4885F12 3070/4885PIM1 3956/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT LGMN 267/4885F12 2580/4885PIM1 4225/4885

“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.