SCHEMBL2861213

SCHEMBL2861213

CC(C)[C@@H](N)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.59
MAPKAPK2 P49137 1/20 0.55
ITK Q08881 8/20 0.48
TTK P33981 5/20 0.47
CTSL P07711 1/20 0.42
CTSK P43235 1/20 0.42
TNIK Q9UKE5 2/20 0.41
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
CHEK2 O96017 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 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
SCHEMBL2860421 0.84 MAPK10 (0.56) MAPK10MAPKAPK2ITKTTKAURKA
SCHEMBL13207534 0.79 TTK (0.47) ITKTTKPLK4AURKACHEK2
SCHEMBL2868617 0.78 MAPK10 (0.58) MAPK10MAPKAPK2ITKTTKTNIK
SCHEMBL2861747 0.78 MAPK10 (0.78) MAPK10MAPKAPK2ITK
SCHEMBL2862258 0.77 MAPK10 (0.64) MAPK10MAPKAPK2ITKAURKAAURKB
SCHEMBL2862255 0.77 MAPK10 (0.64) MAPK10MAPKAPK2ITKAURKAAURKB
SCHEMBL2862761 0.76 MAPK10 (0.76) MAPK10MAPKAPK2ITK
SCHEMBL2862759 0.76 MAPK10 (0.76) MAPK10MAPKAPK2ITK
SCHEMBL5380014 0.75 MAPK10 (0.56) MAPK10MAPKAPK2ITKTTKJAK2
SCHEMBL5377524 0.74 MAPK10 (0.53) MAPK10MAPKAPK2ITKTNIKJAK2

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 MAPK10 29/4885MAPKAPK2 18/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK10 27/4885MAPKAPK2 26/4885ITK 3628/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885MAPKAPK2 18/4885ITK 3726/4885

“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.