SCHEMBL2862889

SCHEMBL2862889

COc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 5/20 0.48
MAPK14 Q16539 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
NTRK1 P04629 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
MAPK10 P53779 1/20 0.38
ACLY P53396 1/20 0.37
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
FYN P06241 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL2861026 0.86 TNIK (0.49) TNIKMAPK14MAPKAPK2NTRK1TRPV1
SCHEMBL2867309 0.84 TNIK (0.44) TNIKMAPK14MAPKAPK2MAPK10TUBB4A
SCHEMBL2866231 0.81 MAPKAPK2 (0.47) MAPKAPK2MAPK10FYNTUBB4ATUBB
SCHEMBL2864750 0.81 CDK2 (0.43) TNIKMAPKAPK2NTRK1JAK2JAK3
SCHEMBL4335786 0.80 MAPK10 (0.52) TNIKMAPKAPK2NTRK1MAPK10JAK2
SCHEMBL2861862 0.80 TUBB4A (0.42) MAPKAPK2MAPK10FYNTUBB4ATUBB
SCHEMBL2867192 0.79 TNIK (0.41) TNIKMAPK14MAPKAPK2MAPK10JAK2
SCHEMBL2865310 0.79 TNIK (0.40) TNIKMAPKAPK2MAPK10JAK2JAK3
SCHEMBL4337647 0.79 STK33 (0.44) TNIKMAPK14MAPK10
SCHEMBL2857820 0.78 ACLY (0.42) TNIKMAPKAPK2MAPK10ACLYTUBB4A

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 12 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
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-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 TNIK 1243/4885MAPK14 4/4885MAPKAPK2 18/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TNIK 1274/4885MAPK14 2/4885MAPKAPK2 26/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TNIK 1243/4885MAPK14 4/4885MAPKAPK2 18/4885

“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.