SCHEMBL2864415

SCHEMBL2864415

COc1cc2c(cc1C(=O)OCC1CC1)c(-c1cc3ccccc3s1)nn2C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
MERTK Q12866 1/20 0.38
HTR4 Q13639 2/20 0.36
ACHE P22303 2/20 0.35
PGK1 P00558 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
IKBKG Q9Y6K9 1/20 0.35
PLAU P00749 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2865454 0.84 JAK2 (0.41) DRD2DRD4JAK2JAK3MERTK
SCHEMBL2864364 0.69 DRD2 (0.40) DRD2DRD4JAK2JAK3HTR4
SCHEMBL2866229 0.69 PIK3CD (0.40) JAK2JAK3PGK1SIRT2SIRT1
SCHEMBL2870210 0.68 JAK2 (0.39) JAK2JAK3MERTK
SCHEMBL2866727 0.68 JAK2 (0.42) DRD2DRD4JAK2JAK3SIRT2
SCHEMBL2861524 0.67 IKBKB (0.40) JAK2JAK3MERTKSIRT2SIRT1
SCHEMBL2864411 0.66 MAPK10 (0.46) DRD2DRD4HTR4PGK1SIRT2
SCHEMBL11664027 0.65 BCL2L1 (0.51)
SCHEMBL13498611 0.63 ATM (0.58) DRD2DRD4HTR4ALDH1A1HPGD
SCHEMBL4155857 0.63 PDE4B (0.38) DRD2DRD4HTR4KDM4EALDH1A1

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 7 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
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP 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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (3 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 DRD2 1274/4885DRD4 1556/4885JAK2 145/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 DRD2 2156/4885DRD4 2145/4885JAK2 247/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 DRD2 1274/4885DRD4 1556/4885JAK2 145/4885

“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.