SCHEMBL6503206

SCHEMBL6503206

O=C(Nc1cccc(-c2n[nH]c3ccc(N4C=CNN4)cc23)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
JAK2 O60674 5/20 0.43
JAK1 P23458 5/20 0.43
AURKA O14965 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ROCK1 Q13464 1/20 0.41
TYK2 P29597 1/20 0.41
CES1 P23141 1/20 0.41
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
MAP2K7 O14733 1/20 0.40
PYGL P06737 1/20 0.40
ATM Q13315 1/20 0.40
MAP3K5 Q99683 1/20 0.40

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
SCHEMBL6504170 0.82 ITK (0.48) MEN1KMT2AJAK2AURKARAB9A
SCHEMBL6501248 0.81 AURKA (0.43) AURKATTKMAPK8MAP2K7MAP3K5
SCHEMBL6507670 0.80 TTK (0.45) AURKATTKMAPK8MAP2K7MAP3K5
SCHEMBL6501210 0.80 AURKA (0.51) AURKATTKMAPK8
SCHEMBL6509037 0.79 TTK (0.57) AURKATTK
SCHEMBL6499706 0.78 AURKA (0.50) AURKATTKMAPK8
SCHEMBL5375012 0.77 MAP3K5 (0.48) MEN1KMT2AJAK2JAK1AURKA
SCHEMBL6506274 0.76 EPHX2 (0.44) KMT2AAURKANPC1TDP1TTK
SCHEMBL6506793 0.76 ROCK2 (0.48) AURKAROCK1TTKMAPK8
SCHEMBL2868712 0.70 PPARG (0.54) MEN1KMT2AJAK2JAK1RAB9A

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 MEN1 4592/4885KMT2A 3492/4885JAK2 5/4885

“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.