SCHEMBL12468932

SCHEMBL12468932

NN=Cc1ccncc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 0.32
ALDH1A1 P00352 1/20 0.31
NUDT1 P36639 2/20 0.31
LMNA P02545 2/20 0.31
NFE2L2 Q16236 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL12468931 1.00 LOXL2 (0.42) LOXL2CCNCCDK8GRIN2DGRIN3B
SCHEMBL6069584 0.80 CCNT1 (0.42) LOXL2ALDH1A1LMNA
SCHEMBL15786313 0.80 LOXL2 (0.38) LOXL2ALDH1A1NUDT1LMNAAPOBEC3G
SCHEMBL6069581 0.80 CCNT1 (0.42) LOXL2ALDH1A1LMNA
SCHEMBL9768963 0.76 EP300 (0.36) CCNCCDK8ALDH1A1LMNA
SCHEMBL19840144 0.76 LOXL2 (0.35) LOXL2
SCHEMBL19840136 0.76 LOXL2 (0.35) LOXL2
SCHEMBL25860651 0.73 GAA (0.43) ALDH1A1LMNA
SCHEMBL23457261 0.72
SCHEMBL12530511 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103328471-A Method of making azaindazole derivatives TAKEDA PHARMACEUTICAL 2013-09-25 CN disclosed
EP-2627654-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES Takeda California, Inc. (US) 2013-08-21 EP disclosed
US-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA CALIFORNIA, INC. 2013-08-01 US disclosed
WO-2012051450-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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 (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-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES GCK, GALK1, GCKR LOXL2 4084/4885CCNC 4720/4885CDK8 1582/4885

“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.