SCHEMBL2180777

SCHEMBL2180777

CN(C)c1ccc(C(=O)c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
PDPK1 O15530 2/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM2 Q14416 1/20 0.37
MAP4K4 O95819 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRD4 O60885 3/20 0.36
HTR6 P50406 4/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
TTK P33981 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
SCHEMBL8281244 0.83 BRD4 (0.42) NPC1HPGDRAB9AKDM1AGRM2
SCHEMBL2179991 0.82 BRD4 (0.50) PTPN11NPC1HPGDRAB9AMEN1
SCHEMBL2750994 0.79 PDPK1 (0.54) PTPN11PDPK1MAP4K4BRD4HTR6
SCHEMBL8192188 0.78 PDPK1 (0.47) PTPN11PDPK1GRM2WNT1GSK3B
SCHEMBL2752683 0.78 PDPK1 (0.47) PTPN11PDPK1GRM2WNT1GSK3B
SCHEMBL12410828 0.78 KDM1A (0.36) NPC1HPGDRAB9AKDM1AGRM2
SCHEMBL13505060 0.77 HTR6 (0.46) PDPK1BRD4HTR6TTK
SCHEMBL3348046 0.76 PDPK1 (0.43) PTPN11PDPK1KDM1AGRM2WNT1
SCHEMBL13505038 0.76 PDPK1 (0.45) PTPN11PDPK1GRM2WNT1GSK3B
SCHEMBL3346632 0.76 PDPK1 (0.45) PDPK1GRM2BRD4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US 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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS API5, CDK5, MAPKAPK5 PTPN11 894/4885PDPK1 85/4885NPC1 2092/4885

“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.