SCHEMBL25826448

SCHEMBL25826448

Cc1cc(Cc2ccc(N)c(N)n2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.36
TYMS P04818 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KCNQ2 O43526 1/20 0.35
MAP4K4 O95819 2/20 0.34
GRM5 P41594 1/20 0.34
CHRM4 P08173 1/20 0.34
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PIK3CB P42338 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
SCHEMBL25826451 0.79 MEN1 (0.38)
SCHEMBL25826362 0.77 CYP17A1 (0.49) UHRF1TYMSNOS3NOS1NOS2
SCHEMBL22152377 0.76 MPO (0.43) UHRF1TYMSKCNQ2GRM5FLT1
SCHEMBL25826381 0.73 PIK3CB (0.38) UHRF1TYMSNOS3NOS1NOS2
SCHEMBL24671918 0.72 UHRF1 (0.44) UHRF1NOS3NOS2KCNQ2GRM5
SCHEMBL12362963 0.71 CYP3A4 (0.52) UHRF1NOS3NOS1NOS2KCNQ2
SCHEMBL25826450 0.70 SMN1; SMN2 (0.37) KCNQ2
SCHEMBL21982559 0.70 MPO (0.44) UHRF1KCNQ2GRM5FLT1KDR
SCHEMBL11229303 0.69 MAP4K4 (0.60) UHRF1MAP4K4TLR7PIK3CB
SCHEMBL20756914 0.69 UHRF1 (0.46) UHRF1KCNQ2

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 UHRF1 3902/4885TYMS 3169/4885NOS3 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.