SCHEMBL972838

SCHEMBL972838

CC(C)CN1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HSD11B1 P28845 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
ATM Q13315 1/20 0.35
PIM1 P11309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL974017 0.82 SMO (0.38) PTPN11MKNK1MKNK2HSD11B1ALDH1A1
SCHEMBL1160741 0.81 HSD11B1 (0.46) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL974634 0.81 KDM4E (0.47) PTPN11MKNK1MKNK2HSD11B1ALDH1A1
SCHEMBL1159894 0.80 PTPN11 (0.37) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL1159359 0.79 MKNK1 (0.39) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL3716695 0.77 HSD11B1 (0.61) HSD11B1KDM4ESMN1; SMN2MAPT
SCHEMBL1160146 0.77 PTPN11 (0.37) PTPN11MKNK1MKNK2HSD11B1PIM1
SCHEMBL8509465 0.76 PTPN11 (0.42) PTPN11MKNK1MKNK2HSD11B1ALDH1A1
SCHEMBL974412 0.76 HSD11B1 (0.51) MKNK1MKNK2HSD11B1
SCHEMBL8509241 0.75 PTPN11 (0.41) PTPN11MKNK1MKNK2HSD11B1ALDH1A1

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 PTPN11 4535/4885MKNK1 1094/4885MKNK2 813/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT PTPN11 4555/4885MKNK1 2363/4885MKNK2 1931/4885

“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.