SCHEMBL16248304

SCHEMBL16248304

Fc1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
PARP1 P09874 1/20 0.50
NR1H2 P55055 10/20 0.49
NR1H3 Q13133 10/20 0.49
GSK3A P49840 3/20 0.45
GSK3B P49841 3/20 0.45
CLK2 P49760 2/20 0.45
CSNK2A1 P68400 2/20 0.45
STK3 Q13188 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
CSNK1D P48730 1/20 0.45
LIMK1 P53667 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL9033424 0.81 PSMD14 (0.62) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL30604782 0.80 NR4A2 (0.56) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL2876594 0.80 NR4A2 (0.56) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL1091417 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL30880479 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL7757756 0.80 NCF1 (0.55) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL317787 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL2876591 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL29862680 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL485347 0.80 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981086-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-17 US disclosed
US-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-8889857-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-18 US 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-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES PHOSPHO1, PDCD1, PDCD1LG2 NCF1 4075/4885PARP1 613/4885NR1H2 4796/4885

“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.