SCHEMBL24916019

SCHEMBL24916019

COc1cnc2cncc(C(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MTNR1B P49286 7/20 0.34
MTNR1A P48039 5/20 0.34
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24915594 0.79 MTNR1B (0.33) MTNR1BMTNR1APDGFRBPDGFRAP2RX3
SCHEMBL21783731 0.79 MTNR1B (0.47) MTNR1BMTNR1APDGFRAMEN1CYP1A2
SCHEMBL24915897 0.77 CYP1A2 (0.36) KDM4ECYP1A2
SCHEMBL24916492 0.76 CYP1A1 (0.36) CYP1A1CYP1B1MTNR1BMTNR1APDGFRB
SCHEMBL29923631 0.76 CYP1A1 (0.36) CYP1A1CYP1B1MTNR1BMTNR1APDGFRB
SCHEMBL24915601 0.75 ALDH1A1 (0.40) CYP1A1CYP1B1PDGFRBPDGFRAP2RX3
SCHEMBL24916399 0.73 CYP11B2 (0.49) P2RX3P2RX2CYP1A2CYP3A4CYP2C19
SCHEMBL24916018 0.73 PDE10A (0.31)
SCHEMBL24842479 0.69 P2RX3 (0.40) P2RX3P2RX2ALDH1A1MEN1CYP1A2
SCHEMBL25637103 0.69 EGFR (0.32) P2RX3P2RX2EGFR

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 CYP1A1 4323/4885CYP1B1 4421/4885MTNR1B 3677/4885

“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.