SCHEMBL24915573

SCHEMBL24915573

COc1cc(C(=O)NC2CCN(C)CC2)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 3/20 0.41
ALDH1A1 P00352 2/20 0.41
IGF1R P08069 2/20 0.40
POLR1A O95602 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LRRK2 Q5S007 1/20 0.39
DRD4 P21917 1/20 0.38
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL29923773 0.81 KMT2A (0.47) KMT2AMCHR1ALDH1A1POLR1AKDM4E
SCHEMBL24915921 0.80 MTNR1A (0.43) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24916230 0.76 SCN9A (0.36) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24916058 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24915923 0.75 CD38 (0.45) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24915919 0.72 HPGD (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24916054 0.72 HTR1B (0.41) KMT2AALDH1A1KDM4EHPGD
SCHEMBL24915560 0.72 PIK3CA (0.50) KMT2AALDH1A1KDM4EHPGD
SCHEMBL31438766 0.72 KMT2A (0.53) KMT2AMCHR1ALDH1A1KDM4EHPGD
SCHEMBL24915570 0.71 CSNK2A2 (0.39) KMT2AALDH1A1KDM4EHPGDHSD17B10

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 641/4885MCHR1 3849/4885ALDH1A1 3815/4885

“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.