SCHEMBL13060358

SCHEMBL13060358

Cn1c(CC(F)(F)F)nc2ccc(S)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
GRM2 Q14416 3/20 0.35
NPC1 O15118 8/20 0.35
RAB9A P51151 8/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 2/20 0.35
CCR3 P51677 1/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
DRD4 P21917 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL23638517 0.83 NPC1 (0.46) PPARGNPC1RAB9ASMN1; SMN2GAA
SCHEMBL30699261 0.82 MAPT (0.43) PPARGGRM2NPC1RAB9ASMN1; SMN2
SCHEMBL23638500 0.82 MAPT (0.43) PPARGGRM2NPC1RAB9ASMN1; SMN2
SCHEMBL24330834 0.80 MAPT (0.41) PPARGNPC1RAB9ASMN1; SMN2GAA
SCHEMBL3397691 0.78 RAB9A (0.55) NPC1RAB9ASMN1; SMN2GAALMNA
SCHEMBL2119107 0.76 CHRM4 (0.38) KDM4E
SCHEMBL1259875 0.75 RHEB (0.40) GRM2NPC1RAB9AGAACCR3
SCHEMBL23638501 0.73 IRAK4 (0.38) PPARG
SCHEMBL15111988 0.68 MEN1 (0.43) NPC1RAB9ASMN1; SMN2GAAUSP2
SCHEMBL31473593 0.67 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PPARG 3620/4885GRM2 3036/4885NPC1 3398/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 PPARG 3620/4885GRM2 3036/4885NPC1 3398/4885

“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.