SCHEMBL21711620

SCHEMBL21711620

COc1ccnc(CNC(=O)c2cc(CNC(=O)O)cc(Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.47
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
NTRK1 P04629 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL21711932 0.84 WDR5 (0.45) WDR5MEN1KMT2ARAB9AALDH1A1
SCHEMBL21711954 0.83 WDR5 (0.50) WDR5ADORA2ANTRK1POLB
SCHEMBL21711968 0.77 WDR5 (0.46) WDR5MEN1KMT2ARAB9AALDH1A1
SCHEMBL21712079 0.76 WDR5 (0.43) WDR5MEN1KMT2ACYP1A2CYP2C9
SCHEMBL21712105 0.75 WDR5 (0.75) WDR5
SCHEMBL21711806 0.74 WDR5 (0.44) WDR5MEN1KMT2AALDH1A1CYP1A2
SCHEMBL21711705 0.74 WDR5 (0.50) WDR5MEN1KMT2ACYP1A2HPGD
SCHEMBL21712097 0.74 TSHR (0.52) WDR5MEN1KMT2AALDH1A1HPGD
SCHEMBL21712086 0.74 HPGD (0.43) WDR5MEN1KMT2AALDH1A1CYP1A2
SCHEMBL21712106 0.73 WDR5 (0.51) WDR5MEN1KMT2AHPGD

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-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 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-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 WDR5 1/4885ADORA2A 4548/4885ADORA1 4288/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885ADORA2A 4548/4885ADORA1 4288/4885

“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.