SCHEMBL2866727

SCHEMBL2866727

COc1c(C(=O)OCC2CC2)ccc2c1c(-c1cc3ccccc3o1)nn2C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MAPK1 P28482 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL2864364 0.85 DRD2 (0.40) JAK2JAK3SMN1; SMN2DRD2DRD4
SCHEMBL2865454 0.83 JAK2 (0.41) JAK2JAK3DRD2DRD4SIRT2
SCHEMBL4155857 0.72 PDE4B (0.38) HTTL3MBTL1SMN1; SMN2DRD2DRD4
SCHEMBL2864599 0.71 SLC6A3 (0.39) JAK2JAK3SLC6A3
SCHEMBL4136502 0.71 HTR4 (0.33) JAK2DRD2DRD4MEN1KMT2A
SCHEMBL4152330 0.70 TUBB1 (0.40) DRD2DRD4
SCHEMBL4153493 0.70 HTR4 (0.35) L3MBTL1DRD2DRD4MEN1KMT2A
SCHEMBL4144664 0.70 DRD2 (0.33) DRD2DRD4MEN1KMT2A
SCHEMBL4157519 0.70 GPR183 (0.35) RAB9ANPC1
SCHEMBL4334570 0.69 KDM4E (0.39) JAK2JAK3HTTL3MBTL1POLB

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 JAK2 145/4885JAK3 776/4885HTT 3338/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 JAK2 247/4885JAK3 743/4885HTT 3897/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885JAK3 776/4885HTT 3338/4885

“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.