SCHEMBL974017

SCHEMBL974017

CS(=O)(=O)CCN1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 6/20 0.37
PTPN11 Q06124 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
DRD2 P14416 4/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
IGF1R P08069 1/20 0.35

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
SCHEMBL974634 0.85 KDM4E (0.47) ALDH1A1POLBHSD11B1PTPN11MKNK1
SCHEMBL972838 0.82 PTPN11 (0.39) ALDH1A1HSD11B1PTPN11MKNK1MKNK2
SCHEMBL974412 0.80 HSD11B1 (0.51) POLBHSD11B1MKNK1MKNK2
SCHEMBL3668895 0.79 HSD11B1 (0.59) SMOHSD11B1DRD2
SCHEMBL1160741 0.79 HSD11B1 (0.46) HSD11B1PTPN11MKNK1MKNK2CCNT1
SCHEMBL1159359 0.79 MKNK1 (0.39) HSD11B1PTPN11MKNK1MKNK2CCNT1
SCHEMBL1159894 0.77 PTPN11 (0.37) HSD11B1PTPN11MKNK1MKNK2CCNT1
SCHEMBL975411 0.75 HSD11B1 (0.46) HSD11B1
SCHEMBL1160146 0.74 PTPN11 (0.37) HSD11B1PTPN11MKNK1MKNK2CCNT1
SCHEMBL8509465 0.74 PTPN11 (0.42) ALDH1A1HSD11B1PTPN11MKNK1MKNK2

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 SMO 3600/4885ALDH1A1 2007/4885POLB 1582/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT SMO 3816/4885ALDH1A1 936/4885POLB 1996/4885

“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.