SCHEMBL15401100

SCHEMBL15401100

CCn1cc(-c2cc3c(cn2)cnn3-c2cncc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.64
PIM3 Q86V86 18/20 0.64
PIM2 Q9P1W9 18/20 0.64
LRRK2 Q5S007 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46

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
SCHEMBL15400274 0.93 PIM1 (0.66) PIM1PIM3PIM2
SCHEMBL15401220 0.89 PIM1 (0.68) PIM1PIM3PIM2
SCHEMBL15401454 0.86 PIM1 (0.52) PIM1PIM3PIM2LRRK2CKS1B
SCHEMBL18073644 0.84 PIM1 (0.66) PIM1PIM3PIM2
SCHEMBL15400728 0.84 PIM1 (0.65) PIM1PIM3PIM2
SCHEMBL15400672 0.83 CKS1B (0.50) PIM1PIM3PIM2LRRK2CKS1B
SCHEMBL15400695 0.81 PIM1 (0.67) PIM1PIM3PIM2LRRK2CKS1B
SCHEMBL15401319 0.81 PIM1 (0.71) PIM1PIM3PIM2
SCHEMBL15401371 0.81 PIM1 (0.49) PIM1PIM3PIM2LRRK2CKS1B
SCHEMBL15401846 0.80 PIM1 (0.61) PIM1PIM3PIM2CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE GENENTECH,INC. 2014-01-02 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 (1 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-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 3/4885

“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.