SCHEMBL4430754

SCHEMBL4430754

O=C(O)c1cccn(Cc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
BRD4 O60885 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 1/20 0.50
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
ALDH1A1 P00352 4/20 0.48
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2621621 0.89 ALDH1A1 (0.59) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL2621620 0.88 CNR1 (0.60) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL2621639 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL4986388 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL2621619 0.83 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL1137531 0.83 BRD4 (0.70) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL4990876 0.82 BRD4 (0.51) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL4438827 0.82 BRD4 (0.55) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL11454825 0.81 BRD4 (0.68) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL13306839 0.81 MAPT (0.49) SMN1; SMN2HTTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 SMN1; SMN2 2273/4885HTT 3297/4885L3MBTL1 1671/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SMN1; SMN2 4244/4885HTT 3392/4885L3MBTL1 1859/4885

“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.