SCHEMBL4346837

SCHEMBL4346837

CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cc4ccccc4o3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.46
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TACR3 P29371 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SYK P43405 1/20 0.35
KDR P35968 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
POLB P06746 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
SCHEMBL4327632 0.90 MKNK1 (0.47) MKNK1JAK2JAK3MAOAMAOB
SCHEMBL4346677 0.88 TACR3 (0.40) JAK2JAK3TACR3SIRT6
SCHEMBL13636099 0.88 TACR3 (0.40) JAK2JAK3TACR3SIRT6
SCHEMBL4334476 0.85 MKNK1 (0.48) MKNK1JAK2JAK3MAOAMAOB
SCHEMBL13198263 0.85 MKNK1 (0.48) MKNK1JAK2JAK3MAOAMAOB
SCHEMBL2861468 0.84 JAK2 (0.44) JAK2JAK3MAOBTP53MAPT
SCHEMBL2867115 0.83 PIP5K1C (0.45) MKNK1JAK2JAK3MAOBTP53
SCHEMBL4332228 0.80 HSD17B10 (0.46) JAK2JAK3TP53MAPTALDH1A1
SCHEMBL4331956 0.78 MAPK1 (0.44) JAK2JAK3MAPTTACR3KDM4E
SCHEMBL4342246 0.77 MAOA (0.40) JAK2JAK3MAOAMAOBTP53

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
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-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 MKNK1 233/4885JAK2 145/4885JAK3 776/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MKNK1 233/4885JAK2 145/4885JAK3 776/4885

“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.