SCHEMBL12445751

SCHEMBL12445751

O=C(O)Cc1c(F)c(F)nc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
AKR1B1 P15121 2/20 0.35
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GABRA5 P31644 1/20 0.31

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
SCHEMBL12445755 0.86 CYP1A2 (0.39) CYP1A2AGBL2AKR1B1HSD17B10GABRA5
SCHEMBL501718 0.86 AKR1B1 (0.38) CYP1A2AGBL2AKR1B1KDM4ELMNA
SCHEMBL15948192 0.82 AKR1B1 (0.42) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL12445760 0.81 CYP1A2 (0.32) CYP1A2
SCHEMBL503968 0.79 AKR1B1 (0.41) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL12445758 0.77 CSNK2A2 (0.43) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL501844 0.77 AKR1B1 (0.42) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL15948146 0.77 AKR1B1 (0.39) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL15948206 0.74 AKR1B1 (0.41) CYP1A2AGBL2AKR1B1HSD17B10KDM4E
SCHEMBL12445753 0.73 AGBL2 (0.39) CYP1A2AGBL2AKR1B1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 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-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS RAF1, BRAF, ARAF CYP1A2 3240/4885AGBL2 2709/4885AKR1B1 1008/4885

“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.