SCHEMBL25820135

SCHEMBL25820135

CC(C)Cc1ccnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PARP1 P09874 1/20 0.46
KDR P35968 1/20 0.43
RIPK1 Q13546 1/20 0.41
MAPT P10636 2/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
KMT2A Q03164 4/20 0.39
USP2 O75604 1/20 0.39
ALK Q9UM73 1/20 0.39
MEN1 O00255 3/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39

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
SCHEMBL25820095 0.76 HTR1A (0.51) PARP1ALDH1A1HTT
SCHEMBL30349874 0.76 L3MBTL1 (0.54) CCNCCDK8L3MBTL1PARP1KDR
SCHEMBL4642829 0.76 L3MBTL1 (0.54) CCNCCDK8L3MBTL1PARP1KDR
SCHEMBL25820152 0.76 HRH4 (0.46) KDRRIPK1ALDH1A1
SCHEMBL25820159 0.75 TAAR1 (0.40) RIPK1MAPT
SCHEMBL25820075 0.75 CCNC (0.42) CCNCCDK8PARP1
SCHEMBL25820130 0.75 KDM4E (0.43) PARP1MAPTEGFRALDH1A1HTT
SCHEMBL841655 0.74 TSHR (0.46) L3MBTL1MAPTALDH1A1HTTCYP3A4
SCHEMBL15910663 0.74 ALDH1A1 (0.60) CCNCCDK8L3MBTL1PARP1KDR
SCHEMBL25820139 0.73 SLC2A1 (0.47) CCNCCDK8L3MBTL1MAPTALDH1A1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (2 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CCNC 821/4885CDK8 567/4885L3MBTL1 2256/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CCNC 491/4885CDK8 385/4885L3MBTL1 3768/4885

“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.