SCHEMBL15401271

SCHEMBL15401271

O=C(O)N1CCCN(c2cncc(Br)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 4/20 0.42
CKS1B P61024 5/20 0.39
SKP1 P63208 5/20 0.39
SKP2 Q13309 5/20 0.39
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
GBA1 P04062 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A7 Q99884 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25027553 0.83 HTR2A (0.42) PIM2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15401407 0.81 CKS1B (0.59) CKS1BSKP1SKP2ALDH1A1GBA1
SCHEMBL15400478 0.80 GRIN2D (0.43) PIM2CKS1BSKP1SKP2HCAR2
SCHEMBL418886 0.79 HTR2A (0.42) PIM2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20460055 0.77 PIM2 (0.33) PIM2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2320635 0.76 ROCK2 (0.37) CKS1BSKP1SKP2ALDH1A1GBA1
SCHEMBL3267279 0.76 KDM4E (0.57) CKS1BSKP1SKP2KDM4EALDH1A1
SCHEMBL5233265 0.74 AKR1C3 (0.61) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1432688 0.74 CKS1B (0.56) CKS1BSKP1SKP2ALDH1A1GBA1
SCHEMBL440473 0.73 GRIN2D (0.48) KDM4EALDH1A1HPGDHSD17B10SLC6A7

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 3 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
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 PIM2 3/4885CKS1B 177/4885SKP1 1194/4885

“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.