SCHEMBL3783752

SCHEMBL3783752

CN(C)c1cccc(N)c1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.38
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL3781821 0.86 CHEK1 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3786897 0.81 MAOA (0.44) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL28877117 0.79 CYP3A4 (0.53) TDP1CYP3A4ALDH1A1TP53ALOX15
SCHEMBL20421691 0.76 CD44 (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3789888 0.75 CD44 (0.50) TDP1CYP3A4ALDH1A1TP53MAPT
SCHEMBL3786323 0.74 ALDH1A1 (0.52) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3792724 0.73 TDP1 (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3786886 0.73 ALDH1A1 (0.40) CHEK1LIMK1TDP1CYP3A4ALDH1A1
SCHEMBL3792864 0.72 TDP1 (0.44) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL10493884 0.72 TDP1 (0.45) CHEK1NEK2LIMK1DYRK1ACLK4

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 CHEK1 2077/4885NEK2 812/4885LIMK1 4113/4885

“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.