SCHEMBL24916494

SCHEMBL24916494

COc1cnc2c(C)ccc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
TNKS O95271 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTR6 P50406 1/20 0.33
ULK1 O75385 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHR1 P34998 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
RIPK2 O43353 1/20 0.32
KDR P35968 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL29923591 1.00 NQO2 (0.37) NQO2TNKSMAPTNPC1RAB9A
SCHEMBL24915600 0.78 P2RX3 (0.40) TNKSMAPTMEN1KMT2A
SCHEMBL17502532 0.77 NSD2 (0.40) CCR1CCR5CCR8RIPK2KDR
SCHEMBL29923616 0.71 MTNR1B (0.49) NQO2MAPTNPC1RAB9AMEN1
SCHEMBL425260 0.71 MTNR1B (0.49) NQO2MAPTNPC1RAB9AMEN1
SCHEMBL29376192 0.70 ALDH1A1 (0.38) MAPTCRHR1CCR1CCR5CCR8
SCHEMBL16105558 0.70 ALDH1A1 (0.38) MAPTCRHR1CCR1CCR5CCR8
SCHEMBL24715886 0.70 NQO2 (0.47) NQO2MAPTNPC1RAB9ACCR1
SCHEMBL19783646 0.69 ALDH1A1 (0.40) NQO2MAPTNPC1RAB9ACRHR1
SCHEMBL29923835 0.69 MAPT (0.45) MAPTNPC1RAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
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 NQO2 1972/4885TNKS 982/4885MAPT 1413/4885

“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.