SCHEMBL29923503

SCHEMBL29923503

Cc1nccn1Cc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.51
PARP1 P09874 6/20 0.51
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP11 Q9NR21 3/20 0.42
WDR5 P61964 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
PDPK1 O15530 1/20 0.39
GRM2 Q14416 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL22990503 0.86 PARP10 (0.46) PARP10PARP1F7F3PARP11
SCHEMBL4820188 0.84 LMNA (0.47) LMNAL3MBTL1WDR5HTR1AHTR2C
SCHEMBL29923517 0.81 TYMP (0.46) PARP10PARP1F7F3LMNA
SCHEMBL8162850 0.74 PARP10 (0.63) PARP10PARP1F7F3LMNA
SCHEMBL29698238 0.74 WDR5 (0.50) LMNAL3MBTL1WDR5
SCHEMBL22981926 0.74 WDR5 (0.50) LMNAL3MBTL1WDR5
SCHEMBL24886164 0.74 WDR5 (0.52) LMNAL3MBTL1WDR5
SCHEMBL8255407 0.72 PARP10 (0.59) PARP10PARP1F7F3PARP11
SCHEMBL31270697 0.72 LMNA (0.74) LMNAL3MBTL1HTR1AHTR2C
Hydrochloric Acid SCHEMBL31315569 0.71 MET (0.42) LMNAL3MBTL1WDR5HTR1AHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP 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 (2 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 PARP10 501/4885PARP1 1588/4885F7 4863/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 PARP10 555/4885PARP1 1697/4885F7 4870/4885

“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.