SCHEMBL796306

SCHEMBL796306

N#Cc1ccc(CCC(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1H O95180 6/20 0.36
CACNA1G O43497 4/20 0.36
CACNA1C Q13936 4/20 0.36
CACNA1I Q9P0X4 4/20 0.36
CYP3A4 P08684 3/20 0.36
FFAR1 O14842 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
KIF11 P52732 1/20 0.34
RORC P51449 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7219997 0.77 CYP19A1 (0.45) KDM4EALDH1A1L3MBTL1FFAR1MBOAT4
SCHEMBL1042523 0.77 KDM4E (0.40) EGLN2KDM4EALDH1A1L3MBTL1FFAR1
SCHEMBL22578745 0.77 KDM4E (0.39) EGLN2KDM4EALDH1A1L3MBTL1MBOAT4
SCHEMBL8569361 0.77 FFAR1 (0.41) KDM4EALDH1A1L3MBTL1FFAR1MBOAT4
SCHEMBL27576276 0.77 KDM4E (0.40) EGLN2KDM4EALDH1A1L3MBTL1FFAR1
SCHEMBL24168720 0.76 KDM4E (0.37) KDM4EALDH1A1L3MBTL1CACNA1HCACNA1G
SCHEMBL13738243 0.75 CCNC (0.37) EGLN2KDM4ECYP3A4MBOAT4KCNH2
SCHEMBL7213728 0.74 KDM4E (0.49) KDM4EALDH1A1L3MBTL1FFAR1MBOAT4
SCHEMBL27303610 0.73 AR (0.41) EGLN2KDM4EALDH1A1L3MBTL1CACNA1H
SCHEMBL19189339 0.73 CA12 (0.37) KDM4E

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EGLN2 738/4885KDM4E 3067/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EGLN2 738/4885KDM4E 3067/4885ALDH1A1 439/4885

“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.