SCHEMBL2179714

SCHEMBL2179714

COCCCOc1cc(CCc2ccc(NC(=O)Nc3ccccc3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
GCK P35557 2/20 0.45
ADORA2A P29274 4/20 0.45
ALDH1A1 P00352 1/20 0.45
AGER Q15109 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2177412 0.94 KCNK3 (0.53) SMN1; SMN2NPC1RAB9AHPGDKCNK3
SCHEMBL2179516 0.93 KCNK3 (0.50) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL2178415 0.91 SCN3A (0.49) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL2176230 0.90 AGER (0.57) SMN1; SMN2NPC1RAB9AHPGDGCK
SCHEMBL2178536 0.89 RAB9A (0.51) SMN1; SMN2LMNATP53TSHRNPC1
SCHEMBL2179715 0.88 GCK (0.59) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL2178840 0.88 PTPN1 (0.51) SMN1; SMN2NPC1RAB9AHPGDGCK
SCHEMBL2178641 0.87 KCNK3 (0.58) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL2176499 0.87 ADORA2A (0.62) SMN1; SMN2LMNATP53NPC1RAB9A
SCHEMBL2178574 0.87 MAPT (0.49) SMN1; SMN2NPC1RAB9AHPGDGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 AURKA 1788/4885PIM1 903/4885CDK2 863/4885

“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.