SCHEMBL15445282

SCHEMBL15445282

O=C(NC1CCC(F)(F)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PKM P14618 1/20 0.46
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
KDM1A O60341 7/20 0.38
CNR1 P21554 2/20 0.35
NAMPT P43490 1/20 0.35
MAOB P27338 3/20 0.35
CA2 P00918 1/20 0.34
MAOA P21397 1/20 0.34
CD38 P28907 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL993860 0.83 PKM (0.61) EPHX2PKMPDK1PDK2PDK3
SCHEMBL27392426 0.82 EPHX2 (0.50) EPHX2PKMPDK1PDK2PDK3
SCHEMBL12827037 0.79 PDK1 (0.55) EPHX2PKMPDK1PDK2PDK3
SCHEMBL6296237 0.79 PDK1 (0.60) EPHX2PKMPDK1PDK2PDK3
SCHEMBL3234006 0.77 PDK1 (0.63) EPHX2PKMPDK1PDK2PDK3
SCHEMBL2772737 0.77 EPHX2 (0.51) EPHX2CHRM2CHRM1CHRM3KDM1A
SCHEMBL22990996 0.75 PKM (0.53) EPHX2PKMPDK1PDK2PDK3
SCHEMBL3273849 0.75 PKM (0.53) EPHX2PKMPDK1PDK2PDK3
SCHEMBL4543546 0.75 EPHX2 (0.58) EPHX2PKMPDK1PDK2PDK3
SCHEMBL3273850 0.75 PKM (0.53) EPHX2PKMPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 US disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
EP-2689779-A1 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing trk PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP 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-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 EPHX2 4558/4885PKM 2410/4885PDK1 1295/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR EPHX2 1563/4885PKM 1515/4885PDK1 2783/4885

“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.