SCHEMBL24915959

SCHEMBL24915959

COc1cc(N2CCN(C)C(=O)C2)c2nccc(C(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.45
ELANE P08246 2/20 0.39
HTR1A P08908 6/20 0.38
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35

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
SCHEMBL24915958 0.84 ELANE (0.43) LRRK2ELANEHTR1A
SCHEMBL24916404 0.83 HTR1A (0.37) LRRK2ELANEHTR1ASOS1
SCHEMBL24915839 0.81 LRRK2 (0.39) LRRK2ELANE
SCHEMBL24915957 0.80 LRRK2 (0.45) LRRK2HTR1AKRASSOS1
SCHEMBL29923937 0.79 HTR1A (0.57) HTR1A
SCHEMBL24915954 0.79 PRKDC (0.46) LRRK2HTR1AATRATRIP
SCHEMBL24915981 0.78 HTR1A (0.38) ELANEHTR1A
SCHEMBL24915985 0.73 HTR1A (0.42) HTR1AKRASSOS1
SCHEMBL24915645 0.70 NSD2 (0.44)
SCHEMBL24916219 0.70 PDE10A (0.41) HTR1A

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 LRRK2 560/4885ELANE 4095/4885HTR1A 4192/4885

“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.