SCHEMBL2857635

SCHEMBL2857635

CC(C)(C)[C@@H](N)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.46
TTK P33981 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CIT O14578 1/20 0.41
LRRK2 Q5S007 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NPY1R P25929 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
CHEK2 O96017 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL13207534 0.90 TTK (0.47) ITKTTKSMN1; SMN2MEN1KMT2A
SCHEMBL2867307 0.83 MKNK1 (0.48) ITKTTKSMN1; SMN2MEN1KMT2A
SCHEMBL2862936 0.80 KDR (0.47) ITKTTKSMN1; SMN2MEN1KMT2A
SCHEMBL2868870 0.77 ITK (0.59) ITKSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2867364 0.76 LRRK2 (0.53) ITKLRRK2JAK2JAK1
SCHEMBL12282485 0.75 TTK (0.74) TTKPLK4AURKACHEK2CYP1A1
SCHEMBL2861387 0.75 ULK1 (0.59) ITKSIRT2SIRT1
SCHEMBL5373372 0.74 SIRT2 (0.48) TTKNPC1RAB9ACHEK2TP53
SCHEMBL2865394 0.74 ALDH1A1 (0.50) ITKSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2860187 0.74 MKNK1 (0.53) ITKTTKHSD17B10KDM4EALDH1A1

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 9 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-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 ITK 3726/4885TTK 1201/4885SMN1; SMN2 4812/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ITK 3628/4885TTK 1066/4885SMN1; SMN2 4781/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ITK 3726/4885TTK 1201/4885SMN1; SMN2 4812/4885

“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.