SCHEMBL974634

SCHEMBL974634

CCS(=O)(=O)N1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 3/20 0.43
HSD11B1 P28845 5/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN11 Q06124 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39
CYP11B1 P15538 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL974412 0.86 HSD11B1 (0.51) HSD11B1CYP17A1CYP21A2CYP11B1MKNK1
SCHEMBL974017 0.85 SMO (0.38) ALDH1A1HSD11B1PTPN11MKNK1MKNK2
SCHEMBL1160741 0.81 HSD11B1 (0.46) MAPTHSD11B1PTPN11MKNK1MKNK2
SCHEMBL1159359 0.81 MKNK1 (0.39) MAPTHSD11B1PTPN11MKNK1MKNK2
SCHEMBL972838 0.81 PTPN11 (0.39) KDM4EALDH1A1MAPTHSD11B1PTPN11
SCHEMBL3659681 0.78 HSD11B1 (0.62) KDM4EALDH1A1MAPTHSD17B10HSD11B1
SCHEMBL1160146 0.77 PTPN11 (0.37) HSD11B1PTPN11MKNK1MKNK2
SCHEMBL8509465 0.76 PTPN11 (0.42) ALDH1A1MAPTHSD17B10HSD11B1TSHR
SCHEMBL8511584 0.76 HSD11B1 (0.41) HSD11B1PTPN11MKNK1MKNK2POLB
SCHEMBL1159894 0.76 PTPN11 (0.37) MAPTHSD11B1PTPN11MKNK1MKNK2

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 KDM4E 1845/4885ALDH1A1 2007/4885MAPT 1000/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT KDM4E 1161/4885ALDH1A1 936/4885MAPT 1302/4885

“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.