SCHEMBL4815836

SCHEMBL4815836

C#CCNS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.51
MMP7 P09237 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
SLC22A11 Q9NSA0 1/20 0.46

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
SCHEMBL4994250 0.81 SLC22A12 (0.40) SLC22A12MMP7MEN1KMT2AALDH1A1
SCHEMBL3692624 0.81 CA12 (0.55) SLC22A12MMP7MEN1KMT2AALDH1A1
SCHEMBL4818467 0.80 GBA1 (0.51) SLC22A12MEN1KMT2AALDH1A1
SCHEMBL27529773 0.78 CA12 (0.57) SLC22A12MMP7MEN1KMT2A
SCHEMBL4815020 0.78 PKM (0.49) SLC22A12KMT2AALDH1A1
SCHEMBL31592624 0.78 ALDH1A1 (0.46) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4029025 0.78 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL6020640 0.77 SLC22A12 (0.57) SLC22A12MMP7
SCHEMBL26733245 0.77 MMP7 (0.51) SLC22A12MMP7MEN1KMT2AALDH1A1
SCHEMBL6732196 0.76 SLC22A12 (0.57) SLC22A12MEN1KMT2AALDH1A1CYP2C9

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 SLC22A12 4752/4885MMP7 3127/4885MEN1 3383/4885

“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.