SCHEMBL24915974

SCHEMBL24915974

COc1cc(OC)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
PDE10A Q9Y233 4/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RAD52 P43351 1/20 0.40
CYP1A2 P05177 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
JAK2 O60674 1/20 0.39
MAPT P10636 1/20 0.38
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PDE4D Q08499 2/20 0.36
CRHR1 P34998 2/20 0.36

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
SCHEMBL24916053 0.81 DHFR (0.43) POLBGAAMAPTP2RX3P2RX2
SCHEMBL20867656 0.80 MAPT (0.50) KMT2APOLBSMN1; SMN2LMNARAD52
SCHEMBL24916052 0.80 P2RX3 (0.37) KMT2APOLBMEN1GAAMAPT
SCHEMBL24916058 0.79 KDM4E (0.50) POLBSMN1; SMN2LMNACYP1A2GAA
SCHEMBL20867783 0.78 GFER (0.48) PDE10APOLBSMN1; SMN2LMNAGAA
SCHEMBL20521940 0.78 KMT2A (0.44) KMT2APDE10APOLBSMN1; SMN2LMNA
SCHEMBL20521814 0.78 CYP3A4 (0.44) KMT2APOLBSMN1; SMN2LMNARAD52
SCHEMBL22750299 0.78 CRHR1 (0.47) KMT2APOLBSMN1; SMN2LMNARAD52
SCHEMBL29923906 0.78 CRHR1 (0.47) KMT2APOLBSMN1; SMN2LMNARAD52
SCHEMBL24915923 0.77 CD38 (0.45) POLBSMN1; SMN2P2RX3P2RX2

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 KMT2A 641/4885PDE10A 3835/4885POLB 3227/4885

“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.