SCHEMBL25822003

SCHEMBL25822003

O=[N+]([O-])c1cc(Nc2ccncc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
MITF O75030 1/20 0.46
KMT2A Q03164 4/20 0.44
USP2 O75604 2/20 0.44
ACVRL1 P37023 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PRKCA P17252 1/20 0.43
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 2/20 0.38
ROCK1 Q13464 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7375340 0.85 GUCY1B2 (0.50) MAPTMAPK1POLBMITFKMT2A
SCHEMBL25826194 0.78 MAPT (0.48) MAPTMAPK1POLBMITFKMT2A
SCHEMBL16964837 0.75 POLB (0.56) MAPTMAPK1POLBMITFKMT2A
SCHEMBL1883622 0.75 ABL1 (0.61) MAPTMAPK1POLBMITFKMT2A
SCHEMBL3178389 0.74 MAPT (0.71) MAPTMAPK1POLBMITFKMT2A
SCHEMBL25821986 0.73 ROCK1 (0.49) MAPTMAPK1POLBMITFKMT2A
SCHEMBL9335542 0.72 MAPK14 (0.39) MAPTMAPK1POLBKMT2AALDH1A1
SCHEMBL10572006 0.72 MEN1 (0.53) MAPTMAPK1POLBMITFKMT2A
SCHEMBL25822159 0.72 ALDH1A1 (0.51) MAPTMAPK1POLBMITFKMT2A
SCHEMBL27193273 0.72 ALDH1A1 (0.53) MAPTMAPK1POLBMITFKMT2A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA MAPT 3976/4885MAPK1 132/4885POLB 2233/4885

“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.