SCHEMBL25826381

SCHEMBL25826381

Cc1cc(Cc2cnc(N)c(N)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.38
UHRF1 Q96T88 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KCNQ2 O43526 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.34
MAP4K4 O95819 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
TYMS P04818 2/20 0.33
KLKB1 P03952 2/20 0.33
KLK1 P06870 2/20 0.33
PRKCI P41743 1/20 0.33
CHRM4 P08173 1/20 0.32

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
SCHEMBL25826362 0.81 CYP17A1 (0.49) UHRF1NOS3NOS1NOS2KCNQ2
SCHEMBL12362963 0.76 CYP3A4 (0.52) UHRF1NOS3NOS1NOS2KCNQ2
SCHEMBL19335823 0.73 UHRF1 (0.39) UHRF1KCNQ2RAB9A
SCHEMBL20756914 0.73 UHRF1 (0.46) UHRF1KCNQ2RAB9A
SCHEMBL25826448 0.73 UHRF1 (0.36) PIK3CBUHRF1NOS3NOS1NOS2
SCHEMBL27323925 0.73 LOXL2 (0.44) UHRF1NOS3NOS1NOS2KCNQ2
SCHEMBL22604676 0.72 UHRF1 (0.50) UHRF1KCNQ2FLT1KDR
SCHEMBL1563564 0.72 CALM1 (0.48) UHRF1NOS2KCNQ2FLT1KDR
SCHEMBL5037060 0.71 EPHX2 (0.47) GAARAB9A
SCHEMBL19335859 0.70 CYP11B1 (0.47)

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-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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PIK3CB 15/4885UHRF1 3902/4885NOS3 612/4885

“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.