SCHEMBL3783976

SCHEMBL3783976

NC(=O)c1cc(-c2ccccc2N)ccc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.69
BRD4 O60885 2/20 0.50
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
BCAT2 O15382 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GRK6 P43250 1/20 0.45
BTK Q06187 1/20 0.44
CHEK1 O14757 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CHUK O15111 2/20 0.41
IKBKE Q14164 1/20 0.41
PKMYT1 Q99640 1/20 0.41
DHFR P00374 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL3780897 0.86 IKBKB (0.50) IKBKBBRD4BCAT2ALDH1A1HSD17B10
SCHEMBL3788357 0.84 BRD4 (0.53) IKBKBBRD4KDM4EGFERKMT2A
SCHEMBL9578379 0.82 IKBKB (0.81) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL3781950 0.81 IKBKB (1.00) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL3790628 0.76 MKNK1 (0.59) BCAT2ALDH1A1HSD17B10L3MBTL1RECQL
SCHEMBL3794862 0.76 IKBKB (0.76) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL10713802 0.76 KMT2A (0.84) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL3785593 0.75 BAZ2B (0.52) ALDH1A1HSD17B10CHEK1L3MBTL1RECQL
SCHEMBL5047743 0.75 IKBKB (0.74) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL17744804 0.75 PPM1B (0.56) IKBKBBRD4KDM4EGFERKMT2A

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 IKBKB 2611/4885BRD4 96/4885KDM4E 2606/4885

“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.