SCHEMBL1160741

SCHEMBL1160741

CC(C)(C)N1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.46
HSD11B2 P80365 1/20 0.44
PTPN11 Q06124 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PIM1 P11309 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
AVPR1A P37288 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1159359 0.81 MKNK1 (0.39) HSD11B1PTPN11MKNK1MKNK2PIM1
SCHEMBL974634 0.81 KDM4E (0.47) HSD11B1PTPN11MKNK1MKNK2MAPT
SCHEMBL972838 0.81 PTPN11 (0.39) HSD11B1PTPN11MKNK1MKNK2PIM1
SCHEMBL8512541 0.80 PTPN11 (0.35) HSD11B1HSD11B2PTPN11MKNK1MKNK2
SCHEMBL975549 0.80 MKNK1 (0.37) HSD11B1HSD11B2PTPN11MKNK1MKNK2
SCHEMBL1160146 0.79 PTPN11 (0.37) HSD11B1PTPN11MKNK1MKNK2PIM1
SCHEMBL974017 0.79 SMO (0.38) HSD11B1PTPN11MKNK1MKNK2CCNT1
SCHEMBL8509465 0.79 PTPN11 (0.42) HSD11B1HSD11B2PTPN11MKNK1MKNK2
SCHEMBL974412 0.78 HSD11B1 (0.51) HSD11B1MKNK1MKNK2
SCHEMBL8509241 0.78 PTPN11 (0.41) HSD11B1PTPN11MKNK1MKNK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714624-B1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI SA (FR) 2017-12-27 EP disclosed
EP-2714624-B1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI SA (FR) 2017-12-27 EP disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
WO-2012160015-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2012-11-29 WO disclosed
WO-2012160015-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2012-11-29 WO disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US disclosed
EP-2459548-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
WO-2011012800-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 (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-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 HSD11B1 156/4885HSD11B2 103/4885PTPN11 4672/4885
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 HSD11B1 1172/4885HSD11B2 991/4885PTPN11 2443/4885

“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.