SCHEMBL22796294

SCHEMBL22796294

CC1=NN(c2ccccn2)C(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.46
PDCD1 Q15116 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
GRIN2B Q13224 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PLD1 Q13393 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ESD P10768 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM1 Q13255 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL907700 0.82 HSD11B1 (0.39) CD274PDCD1SMN1; SMN2GRIN2BPLD1
SCHEMBL22796281 0.80 ESD (0.53) CD274PDCD1SMN1; SMN2KDM4EALDH1A1
SCHEMBL22796296 0.80 CD274 (0.43) CD274PDCD1SMN1; SMN2GRIN2BPLD1
SCHEMBL27447779 0.78 CD274 (0.46) CD274PDCD1SMN1; SMN2GRIN2BCCNA2
SCHEMBL19866263 0.78 SMN1; SMN2 (0.56) CD274PDCD1SMN1; SMN2CCNA2CDK2
SCHEMBL13387492 0.75 MAPT (0.47) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL22795865 0.75 ESD (0.55) CD274PDCD1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19866242 0.72 SMN1; SMN2 (0.40) CD274PDCD1SMN1; SMN2GRIN2BCCNA2
SCHEMBL19866302 0.69 ALDH1A1 (0.35) CD274PDCD1SMN1; SMN2CCNA2CDK2
SCHEMBL20663324 0.68 PRKCZ (0.41) SMN1; SMN2KDM4EALDH1A1MAPTNPSR1

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CD274 4220/4885PDCD1 2109/4885SMN1; SMN2 4626/4885

“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.