SCHEMBL216096

SCHEMBL216096

NC(=O)c1c(C(=O)Nc2ccccc2OC(F)(F)F)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
MTOR P42345 1/20 0.41
PLK1 P53350 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
TTK P33981 1/20 0.37
CCNA1 P78396 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
MGAM O43451 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
STK33 Q9BYT3 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B13 Q7Z5P4 2/20 0.35
HSD17B10 Q99714 1/20 0.35
C1R P00736 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL213795 0.86 HSD17B10 (0.49) LMNAMAPTHTTHSD17B10
SCHEMBL216885 0.86 CNR1 (0.42) LMNAMAPK1HTTCYP3A4
SCHEMBL214646 0.83 EPHB3 (0.44) STK33LMNAMAPTHTTCYP3A4
SCHEMBL214714 0.83 MAPT (0.44) ATRLMNAMAPTMAPK1HTT
SCHEMBL214272 0.83 KDM4E (0.39) STK33LMNAMAPTHTTCYP3A4
SCHEMBL215644 0.82 KDM4E (0.41) LMNAMAPTCYP3A4
SCHEMBL214872 0.81 MAPT (0.42) LMNAMAPTHSD17B10CYP3A4
SCHEMBL214789 0.81 KDM4E (0.47) STK33MAPK1
SCHEMBL215595 0.81 ALDH1A1 (0.46) LMNAMAPTHTTHSD17B10CYP3A4
SCHEMBL215674 0.81 LMNA (0.47) LMNAMAPTMAPK1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ATR 2678/4885MTOR 208/4885PLK1 284/4885

“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.