SCHEMBL3335567

SCHEMBL3335567

O=C(Nc1ccc(S)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 3/20 0.59
PTGS1 P23219 2/20 0.59
PTPRC P08575 1/20 0.59
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
RXFP1 Q9HBX9 1/20 0.54
F2R P25116 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGES O14684 2/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
RECQL P46063 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL5332281 0.87 KCNK3 (0.75) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL2638776 0.86 PTGS1 (0.70) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL21022150 0.86 LMNA (0.66) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL678924 0.84 PTGS1 (0.72) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL96040 0.84 KCNK3 (0.59) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL8363754 0.84 KCNK3 (0.64) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL20601679 0.83 KCNK3 (0.66) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL30791183 0.82 LMNA (0.69) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL21652266 0.82 PTGES (0.62) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL12334663 0.81 RORC (0.71) KCNK3KCNK9PTGS1PTPRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
CN-101675041-A Aminopyrimidines useful as kinase inhibitors VERTEX PHARMA 2010-03-17 CN disclosed
EP-2142537-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-13 EP disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 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 (1 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-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB KCNK3 1603/4885KCNK9 1888/4885PTGS1 2890/4885

“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.