SCHEMBL1160146

SCHEMBL1160146

C[Si]1(c2ccccc2)CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HSD11B1 P28845 4/20 0.36
PIM1 P11309 1/20 0.34
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
AVPR1A P37288 1/20 0.30

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
SCHEMBL1160741 0.79 HSD11B1 (0.46) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL1159359 0.79 MKNK1 (0.39) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL8509658 0.78 HSD11B1 (0.60) HSD11B1
SCHEMBL974634 0.77 KDM4E (0.47) PTPN11MKNK1MKNK2HSD11B1
SCHEMBL972838 0.77 PTPN11 (0.39) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL8509465 0.76 PTPN11 (0.42) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL8511584 0.76 HSD11B1 (0.41) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL8509241 0.75 PTPN11 (0.41) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL974017 0.74 SMO (0.38) PTPN11MKNK1MKNK2HSD11B1CCNT1
SCHEMBL974412 0.74 HSD11B1 (0.51) MKNK1MKNK2HSD11B1

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
EP-2459549-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
EP-2459549-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US disclosed
WO-2011012801-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-03 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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 PTPN11 2077/4885MKNK1 3938/4885MKNK2 3052/4885

“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.