SCHEMBL17059109

SCHEMBL17059109

CC(=O)Nc1cc(C(F)(F)F)c(C)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.49
PIK3R1 P27986 2/20 0.49
MTOR P42345 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTK2 Q05397 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL6933431 0.84 ABL1 (0.48) ABL1
SCHEMBL17899122 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORL3MBTL1ABL1
SCHEMBL896491 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL897009 0.81 PIK3CA (0.50) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL8328931 0.79 L3MBTL1 (0.59) L3MBTL1ABL1PTK2NPC1RAB9A
SCHEMBL20772436 0.78 L3MBTL1 (0.53) L3MBTL1ABL1PTK2NPC1RAB9A
SCHEMBL21443101 0.76 DYRK1A (0.40) PIK3CAPIK3R1MTORABL1NPC1
SCHEMBL18809389 0.75 PIK3R1 (0.33) PIK3CAPIK3R1MTORABL1NPC1
SCHEMBL20861632 0.75 L3MBTL1 (0.53) L3MBTL1ABL1PTK2NPC1RAB9A
SCHEMBL624251 0.75 L3MBTL1 (0.53) MTORL3MBTL1ABL1PTK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637468-B2 Process for manufacturing 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS AG (CH) 2017-05-02 US disclosed
US-20150246897-A1 Process for Manufacturing 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS PHARMA AG (CH) 2015-09-03 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 (1 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-20150246897-A1 Process for Manufacturing 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine PAH, QDPR, NISCH PIK3CA 890/4885PIK3R1 3293/4885MTOR 2016/4885

“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.