SCHEMBL10073460

SCHEMBL10073460

O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1n[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CSF1R P07333 1/20 0.39
KIT P10721 1/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.38
NSD2 O96028 2/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL10073458 0.82 TBXAS1 (0.39) TBXA2RTBXAS1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL10072887 0.80 KMT2A (0.42) TBXA2RTBXAS1SMN1; SMN2KMT2ACNR1
SCHEMBL10073840 0.79 ROCK2 (0.48) LMNAKMT2ACYP19A1TRPV1
SCHEMBL10073647 0.77 ALDH1A1 (0.47) LMNAHTTALDH1A1CNR1NSD2
SCHEMBL10072890 0.76 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL13473572 0.75 ALDH1A1 (0.42) LMNAHTTALDH1A1L3MBTL1KMT2A
SCHEMBL10072908 0.75 L3MBTL1 (0.51) LMNAHTTALDH1A1L3MBTL1KMT2A
SCHEMBL10073838 0.74 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1TSHRTRPV1
SCHEMBL10072916 0.74
SCHEMBL10074044 0.74 LMNA (0.42) SMN1; SMN2LMNAHTTALDH1A1KMT2A

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 TBXA2R 1993/4885TBXAS1 1216/4885SMN1; SMN2 2765/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA TBXA2R 1993/4885TBXAS1 1216/4885SMN1; SMN2 2765/4885

“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.