SCHEMBL24915985

SCHEMBL24915985

COc1cc(N2CCC(NC(C)=O)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
SMPD3 Q9NY59 2/20 0.40
SLC2A1 P11166 1/20 0.40
KRAS P01116 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL24915957 0.83 LRRK2 (0.45) HTR1AKRASSOS1
SCHEMBL24915958 0.79 ELANE (0.43) HTR1A
SCHEMBL24915954 0.78 PRKDC (0.46) HTR1A
SCHEMBL24915981 0.75 HTR1A (0.38) HTR1A
SCHEMBL24915959 0.73 LRRK2 (0.45) HTR1AKRASSOS1
SCHEMBL24916369 0.72 MAP4K4 (0.39) SLC2A1
SCHEMBL24915862 0.70 HPGD (0.46)
SCHEMBL24915853 0.69 LMNA (0.50)
SCHEMBL24915856 0.69 JAK2 (0.42)
SCHEMBL14599462 0.67 CCNC (0.50) CCNCCDK8

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 HTR1A 4192/4885CCNC 1022/4885CDK8 268/4885

“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.