SCHEMBL29458586

SCHEMBL29458586

CC(C)C1CNC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 1/20 0.49
CDC7 O00311 2/20 0.47
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
CDK9 P50750 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 5/20 0.38
PDPK1 O15530 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TNKS2 Q9H2K2 2/20 0.35
PBRM1 Q86U86 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAP2K7 O14733 1/20 0.34
GMNN O75496 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
SCHEMBL29458430 0.83 PARP3 (0.43) PARP3CDC7HTR2AHTR2CHTR2B
SCHEMBL29458572 0.78 CDC7 (0.46) CDC7HTR2CCDK9PARP1PARP10
SCHEMBL11750196 0.77 PARP3 (0.61) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL6635520 0.77 PARP3 (0.53) PARP3CDC7HTR2AHTR2CHTR2B
SCHEMBL12220005 0.77 PARP3 (0.53) PARP3CDC7HTR2AHTR2CHTR2B
SCHEMBL13802926 0.76 HTR2C (0.48) CDC7HTR2AHTR2CHTR2BCDK9
SCHEMBL19131091 0.76 CDC7 (0.47) PARP3CDC7CDK9PARP1TNKS2
SCHEMBL12714442 0.74 CDC7 (0.38) PARP3CDC7HTR2AHTR2CHTR2B
SCHEMBL1615464 0.74 PRCP (0.38) CDC7HTR2ACYP2D6PRCP
SCHEMBL9880849 0.73 S100A4 (0.40) HTR2CPRNPPPARGNCOR2KDM4E

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-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-17 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-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD PARP3 824/4885CDC7 1070/4885HTR2A 2563/4885

“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.