SCHEMBL20533700

SCHEMBL20533700

CCNC(=O)C(c1cncnc1)C1CCNC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.34
AKT1 P31749 1/20 0.34
SLC6A2 P23975 8/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A3 Q01959 6/20 0.34
SMYD3 Q9H7B4 2/20 0.33
NPY2R P49146 1/20 0.33
MTTP P55157 1/20 0.33
PLAT P00750 1/20 0.32

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
SCHEMBL5080882 0.74 SMYD3 (0.50) SMYD3NPY2RMTTP
SCHEMBL6994952 0.69 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SMYD3
SCHEMBL5838596 0.66 ADRA2A (0.50)
SCHEMBL5049558 0.63 HTR1E (0.64) SLC6A2SLC6A3
SCHEMBL14041885 0.63 KMT2A (0.38)
SCHEMBL19031918 0.63 SLC6A1 (0.41)
SCHEMBL12128460 0.62 CPN1 (0.37) SLC6A2SLC6A4SLC6A3SMYD3PLAT
SCHEMBL5049482 0.62 CYP1A2 (0.63) SLC6A2SLC6A3
SCHEMBL5793357 0.62 TSHR (0.59)
SCHEMBL29013542 0.61 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3

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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB CYP46A1 2038/4885AKT1 181/4885SLC6A2 4861/4885

“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.