SCHEMBL7614422

SCHEMBL7614422

c1ncnc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.49
CYP1A2 P05177 7/20 0.49
CYP3A4 P08684 7/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C19 P33261 7/20 0.49
ALDH1A1 P00352 6/20 0.49
USP2 O75604 5/20 0.49
TSHR P16473 4/20 0.49
MAPK1 P28482 4/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
DYRK1A Q13627 3/20 0.48
LMNA P02545 4/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL30501033 0.77 KDM4E (0.59) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20380088 0.77 KDM4E (0.59) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL493511 0.75 KDM4E (0.49) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21373571 0.75 CLK4 (0.44) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5187633 0.75 SMN1; SMN2 (0.47) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21387798 0.74 CLK4 (0.50) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22162812 0.73 CA12 (0.58) CYP3A4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL6923809 0.73 CA12 (0.54) CLK4ALDH1A1USP2TSHRMAPK1
SCHEMBL25440225 0.73 RAB9A (0.65) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10498406 0.73 ADORA2A (0.50) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 CLK4 4729/4885CYP1A2 872/4885CYP3A4 934/4885

“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.