SCHEMBL29923286

SCHEMBL29923286

Cn1cc(-c2cccc3c2CCNC3=O)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.48
PARP10 Q53GL7 6/20 0.48
PARP11 Q9NR21 6/20 0.48
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
TIPARP Q7Z3E1 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
WDR5 P61964 6/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL30190535 0.85 PARP1 (0.45) PARP1PARP10PARP11PARP15PARP14
SCHEMBL29923684 0.81 WDR5 (0.40) PARP1PARP10PARP11PARP15PARP14
SCHEMBL30055237 0.81 WDR5 (0.46) PARP1PARP10PARP11PARP15PARP14
SCHEMBL24915754 0.81 WDR5 (0.46) PARP1PARP10PARP11PARP15PARP14
SCHEMBL30054457 0.81 WDR5 (0.46) PARP1PARP10PARP11PARP15PARP14
SCHEMBL24916117 0.81 WDR5 (0.46) PARP1PARP10PARP11PARP15PARP14
SCHEMBL24916099 0.78 WDR5 (0.42) WDR5PDE3BPDE3A
SCHEMBL29923978 0.78 WDR5 (0.42) WDR5PDE3BPDE3A
SCHEMBL29697978 0.76 PARP1 (0.48) PARP1PARP10PARP11PARP15PARP14
SCHEMBL24916292 0.75 WDR5 (0.54) PARP1PARP10PARP11WDR5PDE3B

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 4 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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 (3 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PARP1 1578/4885PARP10 482/4885PARP11 510/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 PARP1 1588/4885PARP10 501/4885PARP11 487/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 PARP1 1697/4885PARP10 555/4885PARP11 553/4885

“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.