SCHEMBL25826362

SCHEMBL25826362

Cc1cc(Cc2ccc(N)c(N)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
UHRF1 Q96T88 2/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
KCNQ2 O43526 1/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12362963 0.84 CYP3A4 (0.52) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL25826381 0.81 PIK3CB (0.38) GAARAB9AUHRF1NOS3NOS1
SCHEMBL27323925 0.80 LOXL2 (0.44) CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL22604676 0.79 UHRF1 (0.50) CYP3A4KDM4EUHRF1KCNQ2FLT1
SCHEMBL25826364 0.79 TSHR (0.50) GAAALDH1A1CYP3A4MAPTMEN1
SCHEMBL295465 0.78 CYP3A4 (0.61) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL29799746 0.78 CYP3A4 (0.61) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL11221372 0.77 CYP17A1 (0.76) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL20756914 0.77 UHRF1 (0.46) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL25826448 0.77 UHRF1 (0.36) UHRF1NOS3NOS1NOS2KCNQ2

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 CYP17A1 1182/4885CYP19A1 731/4885CYP11B1 773/4885

“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.