SCHEMBL4083974

SCHEMBL4083974

N#Cc1ccc2[nH]nc(-c3cc4ccccc4cn3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.60
LRRK2 Q5S007 14/20 0.45
PIM1 P11309 2/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL31742507 0.81 LRRK2 (0.57) ITKLRRK2PIM1KDM4EBTK
SCHEMBL4083128 0.80 ITK (0.64) ITKLRRK2
SCHEMBL2859279 0.78 ITK (0.64) ITKLRRK2KDM4E
SCHEMBL5372727 0.76 ITK (0.63) ITKLRRK2
SCHEMBL13503138 0.74 LRRK2 (0.56) ITKLRRK2PIM1KDM4E
SCHEMBL5378717 0.73 ITK (0.59) ITKLRRK2KDM4ECYP1A2
SCHEMBL2864320 0.73 ITK (0.62) ITKLRRK2
SCHEMBL5373058 0.73 MAP2K4 (0.63) ITKLRRK2PIM1
SCHEMBL1225637 0.72 PDPK1 (0.67) ITK
SCHEMBL4895080 0.72 ITK (0.54) ITKLRRK2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 ITK 74/4885LRRK2 553/4885PIM1 215/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ITK 77/4885LRRK2 563/4885PIM1 232/4885

“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.