SCHEMBL29458430

SCHEMBL29458430

CC(C1CNC(=O)c2ccccc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 1/20 0.43
PARP1 P09874 6/20 0.38
PARP2 Q9UGN5 1/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
CDC7 O00311 2/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
CDK9 P50750 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TNKS2 Q9H2K2 2/20 0.31
PBRM1 Q86U86 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL29458586 0.83 PARP3 (0.49) PARP3PARP1HTR2AHTR2CHTR2B
SCHEMBL30185581 0.74 PARP3 (0.50) PARP3PARP1PARP2HTR2AHTR2C
SCHEMBL6635520 0.71 PARP3 (0.53) PARP3PARP1HTR2AHTR2CHTR2B
SCHEMBL12220005 0.71 PARP3 (0.53) PARP3PARP1HTR2AHTR2CHTR2B
SCHEMBL8931375 0.70 PARP3 (0.49) PARP3PARP1PARP2HTR2AHTR2C
Boric Acid SCHEMBL29099586 0.70 PARP3 (0.49) PARP3PARP1PARP2HTR2AHTR2C
SCHEMBL11750196 0.67 PARP3 (0.61) PARP3PARP1HTR2AHTR2CHTR2B
SCHEMBL21187107 0.67 PARP3 (0.53) PARP3PARP1PARP2HTR2AHTR2C
SCHEMBL21187169 0.67 PARP3 (0.49) PARP3PARP1HTR2AHTR2CHTR2B
SCHEMBL21187216 0.67 PARP3 (0.49) PARP3PARP1HTR2AHTR2CHTR2B

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 824/4885PARP1 1458/4885PARP2 1530/4885

“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.