SCHEMBL30997663

SCHEMBL30997663

COCc1ccc(N)cc1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 4/20 0.53
RAD52 P43351 2/20 0.53
ADRA2C P18825 3/20 0.45
GAA P10253 5/20 0.45
ALDH1A1 P00352 4/20 0.45
PTK2B Q14289 3/20 0.45
GFER P55789 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR2 Q92731 1/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NR1H2 P55055 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
NCF1 P14598 2/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL22450644 0.88 MAPT (0.56) MAPTKDM4ERAD52ADRA2CGAA
SCHEMBL29310093 0.79 DRD2 (0.42) MAPTKDM4EGAAALDH1A1PTK2B
SCHEMBL22635909 0.78 NCF1 (0.58) MAPTKDM4EADRA2CKMT2AMAPK1
SCHEMBL1397389 0.76 DRD2 (0.60) MAPTKDM4ERAD52ADRA2CGAA
Hydrochloric Acid SCHEMBL6345252 0.75 KDM4E (0.59) MAPTKDM4ERAD52ADRA2CGAA
Hydrochloric Acid SCHEMBL6343779 0.75 KDM4E (0.59) MAPTKDM4ERAD52ADRA2CGAA
SCHEMBL29310423 0.74 HTR1A (0.43) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL429632 0.74 MAPT (0.62) MAPTKDM4ERAD52ADRA2CGAA
SCHEMBL23567036 0.74 MAPT (0.54) MAPTKDM4ERAD52ADRA2CGAA
SCHEMBL30736195 0.74 MAPT (0.54) MAPTKDM4ERAD52ADRA2CGAA

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B MAPT 3813/4885KDM4E 360/4885RAD52 293/4885

“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.