SCHEMBL3354461

SCHEMBL3354461

O=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.78
KDM4E B2RXH2 7/20 0.78
ALDH1A1 P00352 6/20 0.78
HTT P42858 2/20 0.57
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
RAB9A P51151 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
BRD4 O60885 2/20 0.52
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
BRDT Q58F21 1/20 0.52
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6920695 0.99 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EALDH1A1HTTATM
SCHEMBL6920690 0.89 SMN1; SMN2 (0.78) SMN1; SMN2KDM4EALDH1A1HTTATM
SCHEMBL2621620 0.85 CNR1 (0.60) SMN1; SMN2KDM4EALDH1A1HTTRAB9A
SCHEMBL4997689 0.85 ATM (0.76) SMN1; SMN2KDM4EALDH1A1HTTATM
SCHEMBL1137531 0.84 BRD4 (0.70) SMN1; SMN2KDM4EALDH1A1HTTPOLB
SCHEMBL6524399 0.82 VEGFA (0.65) SMN1; SMN2KDM4EALDH1A1HTTRAB9A
SCHEMBL13306606 0.82 KDM4E (0.68) SMN1; SMN2KDM4EALDH1A1HTTATM
Hydrochloric Acid SCHEMBL11454825 0.82 BRD4 (0.68) SMN1; SMN2KDM4EALDH1A1HTTPOLB
SCHEMBL4437360 0.81 BRD4 (0.56) SMN1; SMN2KDM4EALDH1A1HTTPOLB
SCHEMBL19787909 0.81 MAPT (0.60) SMN1; SMN2KDM4EALDH1A1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
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-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-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP 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
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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 (3 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 2273/4885KDM4E 2635/4885ALDH1A1 1639/4885
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SMN1; SMN2 4123/4885KDM4E 629/4885ALDH1A1 2166/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SMN1; SMN2 4244/4885KDM4E 599/4885ALDH1A1 1905/4885

“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.