SCHEMBL3784979

SCHEMBL3784979

CC(=O)c1cccc(-c2ccccc2N)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 4/20 0.43
CFTR P13569 1/20 0.43
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MYC P01106 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 1/20 0.40
PDK2 Q15119 1/20 0.40
BTK Q06187 1/20 0.39
DDX3X O00571 1/20 0.38
FADS1 O60427 1/20 0.38
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL3794838 0.86 BRD4 (0.56) BRD4ALDH1A1L3MBTL1HSD17B10CFTR
SCHEMBL6316176 0.83 G6PD (0.55) ALDH1A1L3MBTL1HSD17B10KDM4EKMT2A
SCHEMBL3804575 0.83 ALDH1A1 (0.50) BRD4ALDH1A1L3MBTL1HSD17B10CFTR
SCHEMBL505381 0.82 MMP2 (0.47) BRD4ALDH1A1HSD17B10CFTRKDM4E
SCHEMBL3780975 0.81 BRD4 (0.51) BRD4ALDH1A1L3MBTL1HSD17B10CFTR
SCHEMBL3792131 0.81 BCAT2 (0.53) ALDH1A1L3MBTL1HSD17B10KDM4EKMT2A
Hydrochloric Acid SCHEMBL2647010 0.80 MMP2 (0.45) BRD4ALDH1A1HSD17B10CFTRKDM4E
SCHEMBL3498784 0.80 G6PD (0.46) BRD4ALDH1A1HSD17B10CFTRKDM4E
SCHEMBL3790555 0.79 ALDH1A1 (0.54) BRD4ALDH1A1L3MBTL1HSD17B10CFTR
2-Aminoacetophenone SCHEMBL309044 0.78 ALDH1A1 (0.59) BRD4ALDH1A1HSD17B10CFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 BRD4 96/4885ALDH1A1 4339/4885L3MBTL1 3838/4885

“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.