SCHEMBL6506793

SCHEMBL6506793

O=C(CN1CCOCC1)Nc1cccc(-c2n[nH]c3ccc(N4C=CNN4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAP4K4 O95819 1/20 0.47
JAK3 P52333 2/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 3/20 0.42
AURKB Q96GD4 3/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6501210 0.83 AURKA (0.51) AURKAAURKBTTKMAPK8
SCHEMBL6509037 0.82 TTK (0.57) AURKAAURKBCDK4CDK2TTK
SCHEMBL6499706 0.81 AURKA (0.50) ALDH1A1HTTLMNASMN1; SMN2AURKA
SCHEMBL6506274 0.81 EPHX2 (0.44) AURKAAURKBTTKMAPK8
SCHEMBL6507670 0.78 TTK (0.45) AURKAAURKBTTKMAPK8
SCHEMBL5374847 0.78 ROCK2 (0.54) ROCK2ROCK1MAP4K4JAK3ALDH1A1
SCHEMBL6504170 0.78 ITK (0.48) ALDH1A1HTTMAPK1LMNASMN1; SMN2
SCHEMBL6501248 0.77 AURKA (0.43) AURKAAURKBTTKMAPK8
SCHEMBL6503206 0.76 MEN1 (0.44) ROCK1AURKATTKMAPK8
Hydrochloric Acid SCHEMBL1249534 0.72 PARP1 (0.56) ROCK2ROCK1MAP4K4JAK3ALDH1A1

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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ROCK2 301/4885ROCK1 210/4885MAP4K4 178/4885

“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.