SCHEMBL3790652

SCHEMBL3790652

CN(C)c1ccc(N)cc1-c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHEK1 O14757 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
PTPRC P08575 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL10956325 0.86 ALDH1A1 (0.44) ALDH1A1CHEK1NEK2LIMK1DYRK1A
SCHEMBL3786502 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1CHEK1NEK2LIMK1
SCHEMBL6571965 0.85 CHEK1 (0.48) ALDH1A1L3MBTL1CHEK1NEK2LIMK1
SCHEMBL3792075 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1CHEK1NEK2LIMK1
SCHEMBL3786195 0.79 PGR (0.43) ALDH1A1CHEK1NEK2LIMK1DYRK1A
Hydrochloric Acid SCHEMBL6572274 0.78 PGR (0.42) ALDH1A1CHEK1NEK2LIMK1DYRK1A
SCHEMBL5133404 0.78 ALDH1A1 (0.65) ALDH1A1L3MBTL1DYRK1ANPC1RAB9A
SCHEMBL3784069 0.75 ALDH1A1 (0.43) ALDH1A1CHEK1NEK2LIMK1DYRK1A
SCHEMBL3780745 0.75 PLA2G7 (0.67) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3786869 0.74 MAOA (0.45) ALDH1A1CYP3A4TSHRKMT2ALMNA

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 ALDH1A1 4339/4885L3MBTL1 3838/4885CHEK1 2077/4885

“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.