SCHEMBL4331815

SCHEMBL4331815

CCOC(C(N)=O)n1nc(-c2ccc3ccccc3c2)c2c(OC)c(C(=O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
NEK2 P51955 2/20 0.36
SRC P12931 8/20 0.36
PIK3CD O00329 3/20 0.36
PRKDC P78527 3/20 0.36
ABL1 P00519 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PTGER4 P35408 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOS1 Q07889 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL4348179 0.84 SRC (0.37) NEK2SRCPIK3CDPRKDCABL1
SCHEMBL4332922 0.84 JAK2 (0.39) JAK2JAK3PIK3CDPRKDCPIK3CA
SCHEMBL4335938 0.80 ECE1 (0.36) NEK2SRCPIK3CDPRKDCABL1
SCHEMBL4334500 0.79 SRC (0.35) SRCPIK3CDPRKDCABL1PIK3CA
SCHEMBL4335958 0.77 PIK3CD (0.34) SRCPIK3CDPRKDCABL1PIK3CA
SCHEMBL4339201 0.76 JAK2 (0.38) JAK2JAK3KDM4EEGFR
SCHEMBL4327034 0.70 RAB9A (0.38) SRCPIK3CDPRKDCABL1PIK3CA
SCHEMBL2864599 0.70 SLC6A3 (0.39) JAK2JAK3SRCPIK3CDPRKDC
SCHEMBL4343214 0.68 CSNK1E (0.35) JAK2JAK3ALDH1A1HPGDKDM4E
SCHEMBL2861482 0.68 CDK4 (0.48) NEK2CYP1A2CYP2D6CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 JAK2 247/4885JAK3 743/4885NEK2 553/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885JAK3 776/4885NEK2 390/4885

“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.