SCHEMBL24916052

SCHEMBL24916052

COc1cc(C#N)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 6/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
CLK1 P49759 2/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL24915974 0.80 KMT2A (0.40) P2RX3P2RX2POLBGAAMAPT
SCHEMBL24916425 0.78 P2RX3 (0.37) P2RX3P2RX2KDM4EL3MBTL1ALDH1A1
SCHEMBL24916058 0.74 KDM4E (0.50) P2RX3P2RX2POLBTSHRKDM4E
SCHEMBL24915923 0.73 CD38 (0.45) P2RX3P2RX2POLBKDM4EALDH1A1
SCHEMBL29923597 0.72 NFKBIA (0.45) POLBTSHRMAPK1KDM4EL3MBTL1
SCHEMBL24915571 0.71 IP6K1 (0.33) TSHRKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL24915921 0.71 MTNR1A (0.43) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL24916054 0.70 HTR1B (0.41) TSHRKDM4EALDH1A1HPGDCASP1
SCHEMBL24915919 0.70 HPGD (0.43) POLBTSHRKDM4EL3MBTL1ALDH1A1
SCHEMBL24915690 0.69 PDE2A (0.38) NPY1R

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 P2RX3 3671/4885P2RX2 3727/4885POLB 3227/4885

“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.