SCHEMBL21711968

SCHEMBL21711968

Cc1cnc(CNC(=O)c2cc(CNC(=O)O)cc(Cl)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX3 P56373 3/20 0.39
P2RX2 Q9UBL9 3/20 0.39
GNRHR P30968 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE5A O76074 2/20 0.39
SCD O00767 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL21712079 0.83 WDR5 (0.43) WDR5CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21711806 0.81 WDR5 (0.44) WDR5ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL21712086 0.81 HPGD (0.43) WDR5ALDH1A1CYP1A2POLBHPGD
SCHEMBL21711802 0.78 WDR5 (0.73) WDR5ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL11962909 0.78 MAPT (0.44) WDR5ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL21711932 0.77 WDR5 (0.45) WDR5ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL21711620 0.77 WDR5 (0.47) WDR5ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL21711705 0.76 WDR5 (0.50) WDR5CYP1A2HPGDCYP2C19MEN1
SCHEMBL21712097 0.76 TSHR (0.52) WDR5ALDH1A1HPGDMEN1KMT2A
SCHEMBL22778057 0.74 MEN1 (0.44) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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 1/4885ALDH1A1 3238/4885CYP1A2 4187/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885ALDH1A1 3238/4885CYP1A2 4187/4885

“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.