SCHEMBL10072895

SCHEMBL10072895

O=S(=O)(c1n[nH]c2ncccc12)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD11B1 P28845 4/20 0.45
PKLR P30613 3/20 0.43
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10072939 0.90 LMNA (0.44) POLBALDH1A1HSD11B1PKLRDRD2
SCHEMBL10072897 0.81 COMT (0.49) ALDH1A1OPRM1OPRK1LMNA
SCHEMBL10072905 0.80 KDM4E (0.50) ALDH1A1OPRM1OPRK1LMNANAMPT
SCHEMBL17962318 0.74 COMT (0.68) POLBALDH1A1HSD11B1
SCHEMBL10072932 0.74 NAMPT (0.47) POLBALDH1A1LMNANAMPTHSD17B10
SCHEMBL10072891 0.74 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL10072940 0.74 COMT (0.39) NAMPTJAK2JAK1JAK3
SCHEMBL10072903 0.73 ROCK2 (0.41) HSD11B1LMNANAMPTJAK2JAK1
SCHEMBL10072929 0.73 KDM4E (0.48) POLBALDH1A1NAMPTHPGD
SCHEMBL10072926 0.72 ACLY (0.44) POLBALDH1A1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 US disclosed
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA POLB 1883/4885ALDH1A1 3237/4885HSD11B1 2810/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA POLB 1883/4885ALDH1A1 3237/4885HSD11B1 2810/4885

“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.