SCHEMBL25820152

SCHEMBL25820152

CC(C)Cc1ccnc2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
RIPK2 O43353 6/20 0.45
KDR P35968 2/20 0.45
RET P07949 1/20 0.45
MAPK14 Q16539 1/20 0.45
PKMYT1 Q99640 1/20 0.45
GAK O14976 1/20 0.44
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CLK1 P49759 1/20 0.38
RIPK1 Q13546 2/20 0.37
PDE4B Q07343 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NMT1 P30419 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL25820159 0.87 TAAR1 (0.40) HRH4RIPK2KDM4EPOLBSMN1; SMN2
SCHEMBL14730905 0.82 RIPK2 (0.47) HRH4RIPK2KDRRETMAPK14
SCHEMBL25820095 0.77 HTR1A (0.51) KDM4EPOLBSMN1; SMN2ALDH1A1SLC22A12
SCHEMBL25820135 0.76 CCNC (0.47) KDRALDH1A1RIPK1
SCHEMBL25820075 0.76 CCNC (0.42) GAKTRPV1
SCHEMBL25820130 0.76 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1SLC22A12TRPV1
SCHEMBL16289148 0.75 RIPK2 (0.58) RIPK2KDRRETMAPK14PKMYT1
SCHEMBL25820139 0.74 SLC2A1 (0.47) RETKDM4ESMN1; SMN2ALDH1A1TRPV1
SCHEMBL25820138 0.74 TRPV1 (0.45) KDM4EPOLBALDH1A1TRPV1
SCHEMBL2588818 0.74 NR4A2 (0.53) RIPK2KDRRETMAPK14PKMYT1

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 HRH4 2074/4885RIPK2 1209/4885KDR 3271/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH4 2350/4885RIPK2 830/4885KDR 2851/4885

“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.