SCHEMBL4331216

SCHEMBL4331216

COc1c(C(=O)NCCc2nccs2)ccc2[nH]nc(-c3cc4ccccc4o3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
COPS5 Q92905 2/20 0.38
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
MKNK1 Q9BUB5 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
NAMPT P43490 2/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4341547 0.88 BRD4 (0.46) JAK2JAK3COPS5PSMD14STAMBP
SCHEMBL4334496 0.85 MEN1 (0.41) JAK2JAK3COPS5PSMD14STAMBP
SCHEMBL4341426 0.84 GAA (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4336829 0.84 KDM4E (0.43) JAK2JAK3MKNK1MEN1KMT2A
SCHEMBL4335810 0.84 JAK2 (0.39) JAK2JAK3COPS5PSMD14STAMBP
SCHEMBL4331838 0.83 HPGD (0.53) JAK2JAK3MEN1KMT2ANPC1
SCHEMBL4334565 0.83 LMNA (0.41) JAK2JAK3MKNK1MEN1KMT2A
SCHEMBL2866722 0.81 GSK3B (0.41) JAK2JAK3DRD2
SCHEMBL2862928 0.79 PIP5K1C (0.46) JAK2JAK3MEN1KMT2ANPC1
SCHEMBL4343252 0.79 HSD17B10 (0.49) MEN1KMT2ANPC1RAB9AKDM4E

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 776/4885COPS5 1294/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885JAK3 776/4885COPS5 1294/4885

“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.