SCHEMBL6794416

SCHEMBL6794416

CCOC(=O)c1nn(C2CCN(C(=O)OCc3ccccc3)CC2)c2c1CCC1=C2CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRIN2B Q13224 5/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CCR8 P51685 1/20 0.36
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
F2 P00734 1/20 0.35
F12 P00748 1/20 0.35
CCR5 P51681 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6792515 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6794409 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6798193 0.77 ALDH1A1 (0.41) SMN1; SMN2CYP2C19HTTMEN1KMT2A
SCHEMBL6793950 0.77 CCNA2 (0.39) CYP2C19NPC1RAB9ALMNAF2
SCHEMBL6793395 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6788861 0.74 CCNA2 (0.37) SMN1; SMN2CYP2C19MEN1KMT2ALMNA
SCHEMBL6789502 0.71 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6790820 0.70 CCNA2 (0.36)
SCHEMBL6792562 0.68 AURKA (0.51) CYP2C19NPC1RAB9AHTTMEN1
SCHEMBL6794842 0.68 OPRD1 (0.35) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 SMN1; SMN2 4333/4885CYP2C19 997/4885NPC1 4242/4885

“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.