SCHEMBL12569554

SCHEMBL12569554

Cc1ccc(OC(F)(F)F)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPK8 P45983 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
IDH1 O75874 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40
GPR3 P46089 1/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL965069 0.87 CHEK1 (0.46) CHEK1PIM1SLC6A2SLC6A4MAPK8
Hydrochloric Acid SCHEMBL7999913 0.85 CHEK1 (0.45) CHEK1PIM1SLC6A2SLC6A4MAPK8
SCHEMBL2326026 0.85 IGF2BP2 (0.49) PIM1EPHX2IDH1IGF2BP2FFAR4
SCHEMBL6518415 0.84 CHEK1 (0.49) CHEK1PIM1SLC6A2SLC6A4MAPK8
SCHEMBL12422194 0.83 FFAR4 (0.41) PIM1SMN1; SMN2EPHX2IDH1KMT2A
SCHEMBL2325954 0.83 NOTUM (0.46) SMN1; SMN2EPHX2IDH1ABL1KDM4E
SCHEMBL9018694 0.83 SLC9A1 (0.44)
SCHEMBL15108843 0.82 SLC6A2 (0.47) CHEK1PIM1SLC6A2SLC6A4MAPK8
SCHEMBL4091950 0.81 CHEK1 (0.47) CHEK1PIM1SLC6A2SLC6A4MAPK8
SCHEMBL13407882 0.81 CHEK1 (0.47) CHEK1PIM1SLC6A2SLC6A4MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CHEK1 4725/4885PIM1 1786/4885SLC6A2 4011/4885

“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.