SCHEMBL10073645

SCHEMBL10073645

Cc1cc(Cl)cc(Cl)c1CNS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.41
NR3C1 P04150 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC40A1 Q9NP59 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10073648 0.76 ALDH1A1 (0.42) POLBALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10072890 0.74 KMT2A (0.39) MAPK1SLC40A1POLBALDH1A1SMN1; SMN2
SCHEMBL12243418 0.74 GAA (0.43) POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL10073461 0.73 L3MBTL1 (0.43) NR3C1SLC40A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10073838 0.73 ALDH1A1 (0.49) P2RX7ALDH1A1SMN1; SMN2
SCHEMBL10073644 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL10072902 0.72 ALDH1A1 (0.61) NR3C1ALDH1A1KDM4E
SCHEMBL10072887 0.72 KMT2A (0.42) SMN1; SMN2KDM4E
SCHEMBL13473510 0.72 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10073647 0.71 ALDH1A1 (0.47) POLBALDH1A1HPGDKDM4E

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 P2RX7 2002/4885NR3C1 1508/4885MAPK1 173/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA P2RX7 2002/4885NR3C1 1508/4885MAPK1 173/4885

“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.