SCHEMBL12445753

SCHEMBL12445753

O=C(O)Cc1c(F)cnc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.39
KDM4E B2RXH2 3/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
AKR1B1 P15121 2/20 0.34
GABRA1 P14867 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRR1 P24046 2/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34

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
SCHEMBL12445759 0.81 CSNK2A2 (0.38) AGBL2KDM4EASPHKDM8AKR1B1
SCHEMBL29010080 0.81 FFAR1 (0.41) KDM4EASPHKDM8P4HTMHSD17B10
SCHEMBL12445754 0.81 GABRA5 (0.40) AGBL2KDM4EASPHKDM8AKR1B1
SCHEMBL10753765 0.75 CBFB (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL12445751 0.73 CYP1A2 (0.37) AGBL2KDM4EAKR1B1GABRA5GABRB2
SCHEMBL909585 0.71 AKR1B1 (0.43) KDM4EAKR1B1CXCL8ALDH1A1HSD17B10
SCHEMBL29459948 0.71 AKR1B1 (0.43) KDM4EAKR1B1CXCL8ALDH1A1HSD17B10
SCHEMBL10465944 0.69 KDM4E (0.42) KDM4EASPHKDM8P4HTMNAPRT
Hydrochloric Acid SCHEMBL1372127 0.69 AKR1B1 (0.42) KDM4EAKR1B1CXCL8ALDH1A1HSD17B10
SCHEMBL29009868 0.69 CA1 (0.40) AGBL2AKR1B1

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 AGBL2 2709/4885KDM4E 1354/4885ASPH 3612/4885

“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.