SCHEMBL75699

SCHEMBL75699

CNc1nc(S(C)(=O)=O)nc(Cl)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
BPTF Q12830 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL10123082 0.82 LMNA (0.40) PTGS2BPTFKDM4EALDH1A1L3MBTL1
SCHEMBL9625868 0.78 LMNA (0.38) PTGS2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11426170 0.73 PDE10A (0.47) ALDH1A1LMNASMN1; SMN2
SCHEMBL12303154 0.71 PDK2 (0.36) YTHDC1LRRK2
SCHEMBL10081994 0.71 PDE10A (0.62) CYP3A4
SCHEMBL25859859 0.71 SMN1; SMN2 (0.41) BPTFALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL7754111 0.70 LMNA (0.38) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5416222 0.69 LRRK2 (0.51) ALDH1A1LMNASMN1; SMN2LRRK2
SCHEMBL10583192 0.69 SMN1; SMN2 (0.40) BPTFALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL31513128 0.67 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1LMNASMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8557833-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-15 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110020469-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7820685-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-16 US disclosed
US-7528142-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
US-20080032963-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-07 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors 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 (8 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PTGS2 1327/4885BPTF 2061/4885KDM4E 825/4885
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 PTGS2 1381/4885BPTF 2039/4885KDM4E 833/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 PTGS2 1327/4885BPTF 2061/4885KDM4E 825/4885
US-20110020469-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB PTGS2 2861/4885BPTF 2186/4885KDM4E 754/4885
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PTGS2 1327/4885BPTF 2061/4885KDM4E 825/4885
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PTGS2 1327/4885BPTF 2061/4885KDM4E 825/4885
US-20080032963-A1 Aminopyrimidines useful as kinase inhibitors AURKC, AURKA, AURKB PTGS2 2861/4885BPTF 2186/4885KDM4E 754/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 PTGS2 1327/4885BPTF 2061/4885KDM4E 825/4885

“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.