SCHEMBL30919984

SCHEMBL30919984

O=C(O)CCNc1ncnc2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
RPS6KB1 P23443 2/20 0.35

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
SCHEMBL17234487 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EKMT2AMEN1CSNK2A2
SCHEMBL15730821 0.84 KDM4E (0.42) L3MBTL1KDM4EHDAC1HDAC2CYP3A4
SCHEMBL7668696 0.81 CYP3A4 (0.59) KDM4ECYP3A4HTTLMNAMAPK1
SCHEMBL23019062 0.79 CYP1A2 (0.44) KDM4ECYP3A4ALDH1A1HTTLMNA
SCHEMBL10836908 0.79 CHEK1 (0.42) L3MBTL1KMT2AMEN1HDAC1HDAC2
SCHEMBL18259658 0.78 TP53 (0.41) KMT2AMEN1HDAC1HDAC2CYP3A4
SCHEMBL30480254 0.78 HTT (0.41) L3MBTL1KMT2AMEN1HDAC1HDAC2
SCHEMBL30479201 0.78 HTT (0.59) KDM4EKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL8826207 0.78 HTT (0.59) KDM4EKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL20119594 0.77 CNR1 (0.47) L3MBTL1KMT2AMEN1CSNK2A2CSNK2A1

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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 L3MBTL1 4766/4885KDM4E 3385/4885KMT2A 3661/4885

“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.