SCHEMBL25835427

SCHEMBL25835427

CCC(C)Nc1ccnnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HCAR3 P49019 1/20 0.39
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
CCNA1 P78396 4/20 0.37
CDK5 Q00535 4/20 0.37
DYRK1A Q13627 4/20 0.37
CDK5R1 Q15078 4/20 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
SCHEMBL25825961 0.79 TDP1 (0.44) ALDH1A1CYP3A4THRBALOX15TSHR
SCHEMBL20631883 0.78 SMN1; SMN2 (0.71) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL9255971 0.78 SMN1; SMN2 (0.71) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27766212 0.76 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL49805 0.74 ALDH1A1 (1.00) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL12697232 0.72 TP53 (0.61) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL2963582 0.71 ALDH1A1 (0.67) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL3822625 0.71
SCHEMBL26045171 0.70 TDP1 (0.48) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL12695048 0.70 TP53 (0.59) ALDH1A1TP53HSP90AA1CYP3A4THRB

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 ALDH1A1 3871/4885TP53 435/4885HSP90AA1 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.