SCHEMBL4345581

SCHEMBL4345581

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPK10 P53779 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TNFRSF1A P19438 3/20 0.35
TNIK Q9UKE5 1/20 0.35
MAPK1 P28482 2/20 0.35
IKBKB O14920 1/20 0.34
PLAU P00749 1/20 0.34
ACLY P53396 1/20 0.34
HPGDS O60760 2/20 0.34

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
SCHEMBL13198255 0.88 SIRT2 (0.40) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL4341447 0.86 JAK2 (0.40) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL4339890 0.84 MAPK1 (0.44) JAK2JAK3MAPK1
SCHEMBL2857820 0.83 ACLY (0.42) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL4329101 0.83 CDK4 (0.41) JAK2JAK3MAPKAPK2MAPK1HPGDS
SCHEMBL2861021 0.82 PIP5K1C (0.46) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL4342246 0.81 MAOA (0.40) JAK2JAK3SIRT2SIRT1TAS1R3
SCHEMBL2865451 0.80 MAPK10 (0.42) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL4334929 0.80 LMNA (0.41) JAK2JAK3SIRT2SIRT1MAPK10
SCHEMBL13198254 0.80 DRD2 (0.40) JAK2JAK3MAPK10MAPKAPK2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885JAK3 776/4885SIRT2 1519/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885JAK3 776/4885SIRT2 1519/4885

“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.