SCHEMBL23890863

SCHEMBL23890863

Cc1ccn(C(C)C)c(=N)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.31
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL27262852 0.76 KDM4E (0.33) KDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1106467 0.76 KDM4E (0.39) KDM4EAPOBEC3AAPOBEC3GCA2ALDH1A1
SCHEMBL23890840 0.74 KDM4E (0.40) KDM4EAPOBEC3AAPOBEC3G
SCHEMBL23890771 0.70 MTNR1A (0.40) KDM4EAPOBEC3AAPOBEC3GLMNAALDH1A1
SCHEMBL24659234 0.70
SCHEMBL599047 0.68 HTR2A (0.53) SLC6A2HTR2AHTR2CTDP1
SCHEMBL13204941 0.68 HTR2C (0.53) SLC6A2HTR2AHTR2CALDH1A1TDP1
SCHEMBL12676170 0.67 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL23890597 0.67 KDM4E (0.54) KDM4EAPOBEC3AAPOBEC3GCA2HTR2A
SCHEMBL12018419 0.65

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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 KDM4E 286/4885APOBEC3A 4310/4885APOBEC3G 4264/4885

“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.