SCHEMBL22796281

SCHEMBL22796281

CC1=NN(c2ccccn2)C(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESD P10768 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RIPK1 Q13546 1/20 0.47
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
TERT O14746 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL22795865 0.89 ESD (0.55) ESDMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL10855110 0.82 ESD (0.53) ESDMAPTALDH1A1HTTGAA
SCHEMBL6298090 0.81 ESD (0.61) ESDMAPTALDH1A1HTTGAA
SCHEMBL8103392 0.80 MAPT (0.68) MAPTALDH1A1HTTSMN1; SMN2GAA
SCHEMBL19866237 0.80 SMN1; SMN2 (0.52) ESDMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL22796294 0.80 CD274 (0.46) ESDMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22796296 0.76 CD274 (0.43) ESDMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6292699 0.75 ESD (0.75) ESDMAPTALDH1A1KDM4EKMT2A
SCHEMBL27997398 0.75 ESD (0.61) ESDMAPTGAAL3MBTL1KMT2A
SCHEMBL27447779 0.75 CD274 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EPDCD1

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 ESD 885/4885MAPT 3730/4885ALDH1A1 201/4885

“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.