SCHEMBL10073654

SCHEMBL10073654

COc1cc(CNS(=O)(=O)c2n[nH]c3ncccc23)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
MRGPRX1 Q96LB2 3/20 0.47
BCHE P06276 1/20 0.45
TP53 P04637 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
F7 P08709 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL10073644 0.79 ALDH1A1 (0.44) LMNAKMT2ASMN1; SMN2MEN1PKM
SCHEMBL13473510 0.73 ALDH1A1 (0.39) LMNASMN1; SMN2RAB9ATP53KDM4E
SCHEMBL10073647 0.73 ALDH1A1 (0.47) LMNAMAPTKDM4EALDH1A1
SCHEMBL10073840 0.73 ROCK2 (0.48) LMNAKMT2ARAB9A
SCHEMBL12243435 0.73 NAMPT (0.49)
SCHEMBL28659168 0.72 LMNA (0.61) LMNAKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL14538271 0.71 MRGPRX1 (0.51) LMNAKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL13473572 0.71 ALDH1A1 (0.42) LMNAKMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL10074043 0.71 ALDH1A1 (0.48) LMNAKDM4EALDH1A1
SCHEMBL415278 0.71 FGFR1 (0.64) LMNAKMT2ASMN1; SMN2MEN1L3MBTL1

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
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

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 LMNA 3403/4885KMT2A 649/4885SMN1; SMN2 2765/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA LMNA 3403/4885KMT2A 649/4885SMN1; 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.