SCHEMBL25848793

SCHEMBL25848793

C=CC(=O)Nc1cnccc1NCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 1/20 0.44
AOC3 Q16853 1/20 0.44
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPK3 P27361 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4C Q9H3R0 4/20 0.41
KDM6B O15054 3/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
TGM2 P21980 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL17524683 0.83 KDM4C (0.50) AOC1AOC3PTPN1PTPN11MAPK3
SCHEMBL19363848 0.81 HIPK2 (0.45) PTPN1PTPN11MAPK3MAPK1KDM4C
SCHEMBL23653144 0.80 PTPN1 (0.47) PTPN1PTPN11MAPK3MAPK1KDM4C
SCHEMBL17522193 0.79 AOC1 (0.44) AOC1AOC3PTPN1PTPN11MAPK3
SCHEMBL25781037 0.78 TGM2 (0.46) PTPN1PTPN11MAPK3MAPK1FGFR1
SCHEMBL16095414 0.75 PTPN1 (0.48) PTPN1PTPN11MAPK3KDM4CKDM6B
SCHEMBL26320440 0.75 PTPN1 (0.41) PTPN1PTPN11MAPK3MAPK1KDM4C
SCHEMBL24038356 0.71 AOC1 (0.47) AOC1AOC3KDM4CKDM6BMKNK1
SCHEMBL22075728 0.71 ALDH1A1 (0.51) PTPN1PTPN11MAPK3MAPK1TGM2
SCHEMBL10719056 0.70 KDM4C (0.77) KDM4CKDM6B

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 AOC1 4556/4885AOC3 2955/4885PTPN1 1177/4885

“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.