SCHEMBL12726405

SCHEMBL12726405

CC(=O)Cn1nc2ncccc2c1I

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ ELANE P08246 1/20 0.36
▸ APP P05067 1/20 0.36
▸ PANK1 Q8TE04 3/20 0.35
▸ PANK3 Q9H999 3/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1637819 0.87 ALOX15 (0.42) APPTSHRACHE
SCHEMBL1639229 0.82 GAA (0.47) MAOBTSHRHTTSMN1; SMN2MEN1
SCHEMBL12726462 0.77 L3MBTL1 (0.40) ELANETSHRHTTSMN1; SMN2
SCHEMBL27714803 0.73 MAOB (0.39) MAOBELANEPANK1PANK3MTNR1A
SCHEMBL14620979 0.72 ALDH1A1 (0.46) PANK1PANK3TSHRHTTSMN1; SMN2
SCHEMBL27735638 0.70 GSK3A (0.40) MAOBELANEGSK3AGSK3BMEN1
SCHEMBL12726406 0.70 CCR1 (0.55) —
SCHEMBL25757539 0.70 ALOX15 (0.49) ELANETSHRHTTSMN1; SMN2
SCHEMBL1638692 0.69 ALOX15 (0.42) APPTSHRSMN1; SMN2ACHE
SCHEMBL15491616 0.68 ELANE (0.53) ELANE

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
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 — — US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 — — US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 — — US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 — — 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 (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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 MAOB 4282/4885ELANE 79/4885APP 4879/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 MAOB 4282/4885ELANE 79/4885APP 4879/4885

“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.

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