SCHEMBL2879616

SCHEMBL2879616

O=C(Nc1ccc2[nH]nc(-c3cccc4c3oc3ccccc34)c2c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ULK1 O75385 10/20 0.53
ITK Q08881 3/20 0.52
CSNK2A1 P68400 1/20 0.52
MAPK10 P53779 1/20 0.48

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
SCHEMBL2865036 0.78 PDPK1 (0.65) PDPK1ULK1ITKCSNK2A1
SCHEMBL2871320 0.74 PDPK1 (0.66) PDPK1ULK1ITKCSNK2A1MAPK10
SCHEMBL1460701 0.74 ITK (0.44) HTTITK
SCHEMBL8251891 0.73 ULK1 (0.61) PDPK1ULK1ITK
SCHEMBL12968549 0.72 PDPK1 (1.00) PDPK1ULK1ITK
SCHEMBL13198206 0.71 PDPK1 (0.54) PDPK1ULK1ITKCSNK2A1MAPK10
SCHEMBL2867415 0.70 ULK1 (0.64) PDPK1ULK1ITKMAPK10
SCHEMBL2866843 0.70 ROCK2 (0.49) PDPK1ULK1ITKMAPK10
SCHEMBL2864512 0.70 ITK (0.51) PDPK1ULK1ITKMAPK10
SCHEMBL2866839 0.69 ROCK2 (0.55) PDPK1KMT2AULK1ITK

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 13 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-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-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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 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 PDPK1 885/4885MEN1 3782/4885NPC1 1164/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PDPK1 1320/4885MEN1 4417/4885NPC1 1171/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PDPK1 885/4885MEN1 3782/4885NPC1 1164/4885

“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.