SCHEMBL24915928

SCHEMBL24915928

COc1cc(C2=CCN(C)CC2)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.38
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
FGFR3 P22607 1/20 0.36
QDPR P09417 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
SCHEMBL24915688 0.79 MAPK14 (0.36)
SCHEMBL24916054 0.74 HTR1B (0.41) HTR6
SCHEMBL24915974 0.70 KMT2A (0.40)
SCHEMBL29745140 0.69 SLC6A4 (0.53) SLC6A4DRD2HTR6FGFR3
SCHEMBL23122833 0.69 SLC6A4 (0.53) SLC6A4DRD2HTR6FGFR3
SCHEMBL24916052 0.69 P2RX3 (0.37)
SCHEMBL31733367 0.69 SLC6A4 (0.55) SLC6A4DRD2HTR6QDPR
SCHEMBL31733726 0.69 SLC6A4 (0.55) SLC6A4DRD2HTR6QDPR
SCHEMBL24916405 0.68 HPGD (0.43)
SCHEMBL5372625 0.67 SLC6A4 (0.65) SLC6A4HTR6

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 SLC6A4 4255/4885EHMT2 473/4885EHMT1 357/4885

“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.