SCHEMBL21859435

SCHEMBL21859435

COc1cc(C(C)C)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.41
P2RX2 Q9UBL9 3/20 0.41
BCL6 P41182 2/20 0.35
PDGFRB P09619 4/20 0.34
PDGFRA P16234 4/20 0.34
ALDH1A1 P00352 2/20 0.33
NAAA Q02083 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTT P42858 1/20 0.33
ABL1 P00519 2/20 0.32
EGFR P00533 2/20 0.32
HCK P08631 2/20 0.32
SRC P12931 2/20 0.32
KDR P35968 2/20 0.32
PIK3CB P42338 2/20 0.32
MTOR P42345 2/20 0.32
PIK3CG P48736 2/20 0.32
EPHB4 P54760 2/20 0.32
PRKDC P78527 2/20 0.32
PI4KB Q9UBF8 2/20 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
SCHEMBL22978515 0.85 P2RX3 (0.37) P2RX3P2RX2BCL6PDGFRBPDGFRA
SCHEMBL22978636 0.85 P2RX3 (0.37) P2RX3P2RX2BCL6PDGFRBPDGFRA
SCHEMBL30525606 0.85 P2RX3 (0.37) P2RX3P2RX2BCL6PDGFRBPDGFRA
SCHEMBL14453800 0.85 P2RX3 (0.44) P2RX3P2RX2PDGFRBPDGFRAALDH1A1
SCHEMBL12299816 0.82 P2RX3 (0.41) P2RX3P2RX2ALDH1A1
SCHEMBL12235180 0.80 P2RX3 (0.45) P2RX3P2RX2ALDH1A1GAA
SCHEMBL14183063 0.78 P2RX3 (0.40) P2RX3P2RX2PDGFRBPDGFRAALDH1A1
SCHEMBL1827513 0.77 ALDH1A1 (0.39) P2RX3P2RX2PDGFRBPDGFRAALDH1A1
SCHEMBL13698778 0.77 HTR2A (0.41) KDR
SCHEMBL22995089 0.76 L3MBTL1 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 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 (2 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 P2RX3 3502/4885P2RX2 3345/4885BCL6 711/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 P2RX3 3487/4885P2RX2 3338/4885BCL6 719/4885

“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.