SCHEMBL24915952

SCHEMBL24915952

CCc1cc(N2CCOCC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
LRRK2 Q5S007 2/20 0.37
ATR Q13535 5/20 0.37
ATRIP Q8WXE1 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
CCR5 P51681 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL24915960 0.87 HTR1A (0.41) LRRK2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL24915994 0.85 TLR9 (0.35) PIK3CA
SCHEMBL24916025 0.83 ELANE (0.38) LRRK2ATRATRIP
SCHEMBL24915986 0.83 SOS1 (0.38) ATR
SCHEMBL24915954 0.81 PRKDC (0.46) PIK3CALRRK2ATRATRIPPIK3CD
SCHEMBL24916406 0.81 HPGD (0.42) PIK3CBMEN1ALDH1A1KMT2AMAPT
SCHEMBL24916004 0.80 LRRK2 (0.39) LRRK2ATRSMN1; SMN2ALDH1A1MAPT
SCHEMBL24915990 0.76 PIK3CA (0.33) PIK3CA
SCHEMBL22253420 0.75 NPC1 (0.36) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL24916205 0.71 SLC6A2 (0.36)

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 PIK3CA 1862/4885LRRK2 560/4885ATR 1991/4885

“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.