SCHEMBL6789502

SCHEMBL6789502

O=C(O)c1nn(C2CCN(C(=O)OCc3ccccc3)CC2)c2c1CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.39
GRIN2B Q13224 9/20 0.39
HTT P42858 1/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP3A4 P08684 3/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ENPP2 Q13822 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
HTR2C P28335 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
SCHEMBL6794409 0.92 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6793388 0.73 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6792515 0.70 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6997163 0.64 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1206723 0.64 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2516621 0.64 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL5634523 0.64 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14992459 0.63 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3898493 0.63 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7399416 0.63 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 4333/4885NPC1 4242/4885RAB9A 2148/4885

“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.