SCHEMBL954441

SCHEMBL954441

CCOc1nc(-c2ccnc(N(CC)C(=O)O)c2)sc1-c1ncn(C2CCCCO2)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GSK3B P49841 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3791929 0.86 GSK3B (0.42) GSK3B
SCHEMBL953190 0.85 CDC7 (0.35) ATR
SCHEMBL955474 0.85 GSK3B (0.40) GSK3B
SCHEMBL954873 0.75 CDC7 (0.34) GSK3BKDM4EALDH1A1HSD17B10
SCHEMBL953631 0.72 MAPK14 (0.40) KDM4EALDH1A1
SCHEMBL3794474 0.71 ATR (0.33) ATRABL1
SCHEMBL3794471 0.70 ATR (0.34) ATRRXRARXRBRXRGABL1
SCHEMBL952882 0.70 CDC7 (0.39) ATR
SCHEMBL954308 0.69 ADORA2A (0.36) RXRARXRBRXRGABL1KDM4E
SCHEMBL626447 0.69 CYP1A2 (0.34) GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 ATR 1442/4885RXRA 4435/4885RXRB 4180/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ATR 2022/4885RXRA 3201/4885RXRB 3022/4885

“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.