SCHEMBL10073458

SCHEMBL10073458

O=S(=O)(NCCc1cc(F)cc(F)c1)c1n[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SGMS1 Q86VZ5 1/20 0.37
SLC40A1 Q9NP59 2/20 0.37
KMT2A Q03164 3/20 0.36
NTRK1 P04629 3/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
TBXA2R P21731 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL10073460 0.82 TBXA2R (0.44) TBXAS1SMN1; SMN2KMT2ATDP1TBXA2R
SCHEMBL10072887 0.82 KMT2A (0.42) TBXAS1SMN1; SMN2KMT2ATBXA2R
SCHEMBL10072890 0.78 KMT2A (0.39) SMN1; SMN2SLC40A1KMT2ATDP1MEN1
SCHEMBL10073466 0.77 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL10072916 0.76
SCHEMBL10074043 0.74 ALDH1A1 (0.48) SGMS1
SCHEMBL10072908 0.74 L3MBTL1 (0.51) KMT2ATDP1MEN1L3MBTL1
SCHEMBL10073161 0.74 LMNA (0.40) TBXAS1SMN1; SMN2TBXA2R
SCHEMBL10073655 0.73 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL10047436 0.72 KDM4E (0.46) SLC40A1KMT2AL3MBTL1

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 7 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
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 TBXAS1 1216/4885SMN1; SMN2 2765/4885TAAR1 3884/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA TBXAS1 1216/4885SMN1; SMN2 2765/4885TAAR1 3884/4885

“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.