SCHEMBL20153674

SCHEMBL20153674

CCc1nnc(C(C)C)n1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 4/20 0.33
CASP6 P55212 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 5/20 0.31
S1PR1 P21453 2/20 0.31
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4629067 0.78 GAA (0.39) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9524056 0.78 GAA (0.38) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL13180309 0.76 LMNA (0.38) SMN1; SMN2S1PR1L3MBTL1
SCHEMBL17761898 0.74 S1PR1 (0.31) S1PR1
SCHEMBL18722239 0.74 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL10011830 0.68
SCHEMBL5924332 0.65 MAPT (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL18905844 0.65 GAA (0.33) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL14173448 0.65 KDM4E (0.47) CYP1A2GAAMAPTKDM4EALDH1A1
SCHEMBL11608060 0.64 LMNA (0.40) CYP1A2CYP3A4CYP2C9CYP2C19GAA

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
US-20230015063-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS UNIV ARIZONA STATE (US) 2023-01-19 US disclosed
US-10944064-B2 Tetradentate metal complexes with carbon group bridging ligands ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-09 US disclosed
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-17 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 (3 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-20230015063-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP CYP1A2 4243/4885CYP3A4 4434/4885CYP2C9 4625/4885
US-10944064-B2 Tetradentate metal complexes with carbon group bridging ligands STAU1, POLR1G, CLTC CYP1A2 4851/4885CYP3A4 4630/4885CYP2C9 4784/4885
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP CYP1A2 4243/4885CYP3A4 4434/4885CYP2C9 4625/4885

“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.