SCHEMBL2864599

SCHEMBL2864599

COc1c(C(=O)OC2CC2)ccc2c1c(-c1ccc3ccccc3c1)nn2C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.39
SRC P12931 3/20 0.38
RIPK2 O43353 1/20 0.38
KCNH2 Q12809 2/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
PRKDC P78527 3/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 1/20 0.34
EGFR P00533 2/20 0.34
ABCB1 P08183 3/20 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
SCHEMBL2864364 0.87 DRD2 (0.40) SLC6A3SRCRIPK2KCNH2JAK2
SCHEMBL2871125 0.73 SRC (0.43) SLC6A3SRCRIPK2JAK2JAK3
SCHEMBL2866727 0.71 JAK2 (0.42) SLC6A3JAK2JAK3
SCHEMBL4331815 0.70 JAK2 (0.37) SRCRIPK2JAK2JAK3PIK3CD
SCHEMBL4348179 0.69 SRC (0.37) SLC6A3SRCRIPK2PIK3CDPIK3CA
SCHEMBL2863191 0.67 SRC (0.42) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL13636075 0.66 CDK4 (0.47) SLC6A3SRCRIPK2JAK2JAK3
SCHEMBL4335938 0.66 ECE1 (0.36) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL13198235 0.66 PIK3CD (0.53) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4334500 0.65 SRC (0.35) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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 SLC6A3 1999/4885SRC 261/4885RIPK2 382/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SLC6A3 2551/4885SRC 258/4885RIPK2 826/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SLC6A3 1999/4885SRC 261/4885RIPK2 382/4885

“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.