SCHEMBL10073466

SCHEMBL10073466

O=S(=O)(NCCSc1ccc(F)cc1)c1n[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
GLRA3 O75311 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10073655 0.78 ALDH1A1 (0.50) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL10073458 0.77 TBXAS1 (0.39) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL10074043 0.75 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4
SCHEMBL10073643 0.74 LMNA (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10073642 0.74 MAPT (0.63) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL10073461 0.72 L3MBTL1 (0.43) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL10073161 0.72 LMNA (0.40) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL10073455 0.72 KMT2A (0.40) ALDH1A1KMT2AMAPTMEN1GLRA3
SCHEMBL10072890 0.71 KMT2A (0.39) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL10073460 0.71 TBXA2R (0.44) ALDH1A1KMT2ATSHRSMN1; SMN2LMNA

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 ALDH1A1 3237/4885GAA 1192/4885KMT2A 649/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885GAA 1192/4885KMT2A 649/4885

“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.