SCHEMBL8737786

SCHEMBL8737786

CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP9 P14780 1/20 0.50
PI4KB Q9UBF8 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8738402 0.88 OPRM1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8737758 0.87 MEN1 (0.58) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8737951 0.87 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8738840 0.81 PIK3CG (0.65) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8737779 0.81 MEN1 (0.59) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8738316 0.74 MAPT (0.64) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4522975 0.73 MMP9 (0.73) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8737764 0.73 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4524565 0.73 MMP9 (0.69) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL6121233 0.71 PIK3CG (0.80) PIK3CGMEN1KMT2AKDM4EALDH1A1

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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 PIK3CG 4850/4885MEN1 2298/4885KMT2A 2435/4885

“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.