SCHEMBL10072908

SCHEMBL10072908

O=S(=O)(NCCC1=CCCCC1)c1n[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 10/20 0.50
TSHR P16473 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 3/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL14538175 0.78 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRNPSR1LMNA
SCHEMBL10072890 0.75 KMT2A (0.39) L3MBTL1ALDH1A1TSHRNPSR1LMNA
SCHEMBL10073460 0.75 TBXA2R (0.44) L3MBTL1ALDH1A1TSHRLMNAHTT
SCHEMBL10072887 0.75 KMT2A (0.42) KDM4EKMT2AGAA
SCHEMBL10073458 0.74 TBXAS1 (0.39) L3MBTL1TDP1KMT2AMEN1
SCHEMBL10072916 0.73
SCHEMBL10073161 0.71 LMNA (0.40) ALDH1A1NPSR1LMNAKDM4EHPGD
SCHEMBL23051998 0.71 TDP1 (0.75) L3MBTL1ALDH1A1TSHRNPSR1LMNA
SCHEMBL10073655 0.70 ALDH1A1 (0.50) L3MBTL1ALDH1A1NPSR1LMNAKDM4E
SCHEMBL10073466 0.68 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRLMNAHTT

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 L3MBTL1 3539/4885ALDH1A1 3237/4885TSHR 4008/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA L3MBTL1 3539/4885ALDH1A1 3237/4885TSHR 4008/4885

“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.